Geometry & MOs

Info

ID:

392892

PubChem CID:

135018323

Reduced:

BNSO2C8H11 (1)

Stoich.:

ABCD2E8F11 (1)

Weight, g/mol:

239.142248

ΔHf, kcal/mol:

-70.37

Dipole, Da:

4.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.861802

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-3-(methylaminomethyl)aniline

Drug info:

PubChemData

Smile

[B-]12(N(CCO1)CCO2)C3=CC=CS3

DOS

IR

Vibrations