Geometry & MOs

Info

ID:	188052
PubChem CID:	77661547
Reduced:	ClNO2C19H28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	3.41
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,3-triol

Drug info:

PubChemData

Smile

CC12CCC3(C(C1CCC2N)C=CC4C3(C=CC(C4)(O)O)C)Cl

DOS

IR

Vibrations