Geometry & MOs

Info

ID:

321173

PubChem CID:

126665099

Reduced:

SN3C7H14 (1)

Stoich.:

AB3C7D14 (1)

Weight, g/mol:

214.01393

ΔHf, kcal/mol:

33.9

Dipole, Da:

2.12

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.770707

Charge, e:

0

Chem-info

IUPAC name:

aminomethyl-dimethyl-(2-sulfanylethyl)azanium;bromide

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCCS)CN

DOS

IR

Vibrations