Geometry & MOs

Info

ID:	187711
PubChem CID:	77612468
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	664.335981
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	2.46
IP(EA), eV:	-9.97(-0.86)
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;2-methylprop-1-ene

Drug info:

PubChemData

Smile

C1C(C(C2=C1C=CC(=C2)C#N)C(=O)N)O

DOS

IR

Vibrations