Geometry & MOs

Info

ID:

44103

PubChem CID:

10500700

Reduced:

N4C15H29 (1)

Stoich.:

A4B15C29 (1)

Weight, g/mol:

392.123303

ΔHf, kcal/mol:

38.49

Dipole, Da:

0.64

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754392

Charge, e:

0

Chem-info

IUPAC name:

N-[(E)-[(4,6-dimethylpyrimidin-2-yl)-phenylmethylidene]amino]-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CCCCC[N+]12CCN3CCN4C3C1N(CC4)CC2

DOS

IR

Vibrations