Geometry & MOs

Info

ID:

88666

PubChem CID:

49956003

Reduced:

BrN3C8H15 (1)

Stoich.:

AB3C8D15 (1)

Weight, g/mol:

261.115851

ΔHf, kcal/mol:

7.02

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752950

Charge, e:

 -1

Chem-info

IUPAC name:

N-benzyl-N'-phenylethane-1,2-diamine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCN)C.[Br-]

DOS

IR

Vibrations