Geometry & MOs

Info

ID:	148782
PubChem CID:	53788451
Reduced:	C7O8H12 (1)
Stoich.:	A7B8C12 (1)
Weight, g/mol:	577.330442
ΔH_f, kcal/mol:	-348.48
Dipole, Da:	2.75
IP(EA), eV:	-10.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4R,4aR,7aS,12bS)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-yl]-2-(dimethylamino)-2-phenylethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide

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@H]([C@@H](C(=O)COC(=O)O)O)O)O)O

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@H]([C@@H](C(=O)COC(=O)O)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):