Geometry & MOs

Info

ID:	25330
PubChem CID:	623159
Reduced:	NF5H6C13 (1)
Stoich.:	AB5C6D13 (1)
Weight, g/mol:	382.323566
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	2.96
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=CC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations