Geometry & MOs

Info

ID:	62831
PubChem CID:	26737060
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	318.267114
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	3.14
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2

DOS

IR

Vibrations