Geometry & MOs

Info

ID:	337171
PubChem CID:	127256736
Reduced:	N2H7C10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	374.282095
ΔH_f, kcal/mol:	136.66
Dipole, Da:	4.29
IP(EA), eV:	-9.41(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(10S,13R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC(=C(N=C2)C3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations