Geometry & MOs

Info

ID:	25926
PubChem CID:	634002
Reduced:	CuN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	402.329794
ΔH_f, kcal/mol:	24.76
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.097840
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NCCCCCCCN=CC2=CC=CC=C2O)O.[Cu]

DOS

IR

Vibrations