Geometry & MOs

Info

ID:	322453
PubChem CID:	126670195
Reduced:	ON2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	302.260966
ΔH_f, kcal/mol:	27.46
Dipole, Da:	2.64
IP(EA), eV:	-8.9(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5S,10S,13S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC=N/C=C\[N+](C)(C)[O-]

DOS

IR

Vibrations