Geometry & MOs

Info

ID:	160482
PubChem CID:	57309830
Reduced:	NC2H3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	388.334131
ΔH_f, kcal/mol:	50.06
Dipole, Da:	5.61
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10S,13S,14S)-17-heptoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CN=C(N1C2=CNCN2)C

DOS

IR

Vibrations