Geometry & MOs

Info

ID:	190242
PubChem CID:	77975706
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	33.37
Dipole, Da:	2.49
IP(EA), eV:	-9.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-17-(1-hydroxypropyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(NNC2=O)C3=CC=NC=C3

DOS

IR

Vibrations