Geometry & MOs

Info

ID:

436980

PubChem CID:

135213462

Reduced:

O3N4C33H38 (1)

Stoich.:

A3B4C33D38 (1)

Weight, g/mol:

592.278466

ΔHf, kcal/mol:

-53.49

Dipole, Da:

3.69

IP(EA), eV:

 -8.11(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,15S,17R,19R,20S)-6-methoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3CCNC(=O)C=C

DOS

IR

Vibrations