Geometry & MOs

Info

ID:	225173
PubChem CID:	85747807
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	404.256274
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	5.2
IP(EA), eV:	-7.95(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-10,13-dimethyl-6,12-dioxo-2,3,4,5,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Drug info:

PubChemData

Smile

CNC1=CC(=C(C=C1)O)OCCCO

DOS

IR

Vibrations