Geometry & MOs

Info

ID:	25517
PubChem CID:	626105
Reduced:	ClN2O2F3H8C11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	292.220244
ΔH_f, kcal/mol:	-190.6
Dipole, Da:	3.35
IP(EA), eV:	-9.24(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-6,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

COC1=NC2=C(C(=C1)Cl)N=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations