Geometry & MOs

Info

ID:	323568
PubChem CID:	126675489
Reduced:	Cl2N7H15C16 (1)
Stoich.:	A2B7C15D16 (1)
Weight, g/mol:	338.260966
ΔH_f, kcal/mol:	119.58
Dipole, Da:	4.87
IP(EA), eV:	-8.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations