Geometry & MOs

Info

ID:

291726

PubChem CID:

113460599

Reduced:

BrNO2C15H18 (1)

Stoich.:

ABC2D15E18 (1)

Weight, g/mol:

383.92959

ΔHf, kcal/mol:

-79.32

Dipole, Da:

4.94

IP(EA), eV:

-9.55(-0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-bromo-N-(5-bromo-4-methylpyridin-2-yl)-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)N2CCCC2CC(=O)C

DOS

IR

Vibrations