Geometry & MOs

Info

ID:	322500
PubChem CID:	126670277
Reduced:	NO3C13H22 (2)
Stoich.:	AB3C13D22 (2)
Weight, g/mol:	450.309372
ΔH_f, kcal/mol:	-229.67
Dipole, Da:	7.16
IP(EA), eV:	-9.12(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 2-(diethylaminomethyl)azetidine-1-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)CC1CN(CCO1)C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)CC1CN(CCO1)C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):