Geometry & MOs

Info

ID:

381439

PubChem CID:

134972173

Reduced:

NPO8C14H25 (1)

Stoich.:

ABC8D14E25 (1)

Weight, g/mol:

267.089543

ΔHf, kcal/mol:

-333.25

Dipole, Da:

7.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768115

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C(C)/C=C/[O-])[N+](=O)[O-])P(=O)(OCC)OCC

DOS

IR

Vibrations