Geometry & MOs

Info

ID:	179426
PubChem CID:	76482188
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	359.233468
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	4.73
IP(EA), eV:	-10.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxy-2-(4-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl)ethenediazonium

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4C(C(=O)C(CC4(C3CC2)C)C(=C[N+]#N)[O-])O

DOS

IR

Vibrations