Geometry & MOs

Info

ID:	27300
PubChem CID:	820443
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	2.19
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,15R,19R,20R,21S)-21-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCN[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations