Geometry & MOs

Info

ID:	189599
PubChem CID:	77879230
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	628.279609
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	1.63
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrofluoride

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1N(C(C)COC)C(=O)C)C=CC)Cl

DOS

IR

Vibrations