Geometry & MOs

Info

ID:	179260
PubChem CID:	76456834
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	452.11984
ΔH_f, kcal/mol:	-200.01
Dipole, Da:	5.69
IP(EA), eV:	-10.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1-carbonyl bromide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)(C(=O)NO)C(=O)O

DOS

IR

Vibrations