Geometry & MOs

Info

ID:	25982
PubChem CID:	635182
Reduced:	NPC7H10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	458.375995
ΔH_f, kcal/mol:	23.7
Dipole, Da:	1.66
IP(EA), eV:	-8.13(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)P

DOS

IR

Vibrations