Geometry & MOs

Info

ID:	144646
PubChem CID:	53392730
Reduced:	NO6C22H35 (1)
Stoich.:	AB6C22D35 (1)
Weight, g/mol:	327.22297
ΔH_f, kcal/mol:	-213.72
Dipole, Da:	1.85
IP(EA), eV:	-8.22(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,9R,9aR,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane

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

C[C@@H](/C=C(\C)/[C@@H]([C@@H](C)C(=O)N(C)OC)O)[C@@H](C)OCC1=CC(=C(C=C1)OC)OC

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

C[C@@H](/C=C(\C)/[C@@H]([C@@H](C)C(=O)N(C)OC)O)[C@@H](C)OCC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):