Geometry & MOs

Info

ID:	189600
PubChem CID:	77879231
Reduced:	FN2O9C33H41 (1)
Stoich.:	AB2C9D33E41 (1)
Weight, g/mol:	342.25588
ΔH_f, kcal/mol:	-373.93
Dipole, Da:	3.9
IP(EA), eV:	-8.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-propan-2-yl-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.F

DOS

IR

Vibrations