Geometry & MOs

Info

ID:	53096
PubChem CID:	14709559
Reduced:	F3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	498.27225
ΔH_f, kcal/mol:	-270.65
Dipole, Da:	2.71
IP(EA), eV:	-9.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-10,17-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,13,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

COCOCC1=CC=C(C=C1)C(C(F)(F)F)O

DOS

IR

Vibrations