Geometry & MOs

Info

ID:

399573

PubChem CID:

135040994

Reduced:

NO2C5H10 (1)

Stoich.:

AB2C5D10 (1)

Weight, g/mol:

302.03063

ΔHf, kcal/mol:

-71.41

Dipole, Da:

2.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752922

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-bromophenyl)-1-(2-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)[OH2+]

DOS

IR

Vibrations