Geometry & MOs

Info

ID:

50534

PubChem CID:

12013079

Reduced:

BrN3C8H13 (1)

Stoich.:

AB3C8D13 (1)

Weight, g/mol:

154.134423

ΔHf, kcal/mol:

124.12

Dipole, Da:

4.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756591

Charge, e:

 1

Chem-info

IUPAC name:

(2-cyanoethylamino)-dimethyl-prop-2-enylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CC#CBr)NCCC#N

DOS

IR

Vibrations