Geometry & MOs

Info

ID:	220908
PubChem CID:	85240357
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	4.23
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-13-methyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=COC3=NC(=NC(=O)C23)N

DOS

IR

Vibrations