Geometry & MOs

Info

ID:

398885

PubChem CID:

135036035

Reduced:

OC7H9 (1)

Stoich.:

AB7C9 (1)

Weight, g/mol:

420.183778

ΔHf, kcal/mol:

4.65

Dipole, Da:

2.54

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.861913

Charge, e:

0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[OH2+]

DOS

IR

Vibrations