Geometry & MOs

Info

ID:

413527

PubChem CID:

135086476

Reduced:

NOC9H12 (1)

Stoich.:

ABC9D12 (1)

Weight, g/mol:

197.99184

ΔHf, kcal/mol:

-15.29

Dipole, Da:

3.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.017084

Charge, e:

 1

Chem-info

IUPAC name:

1-(3-bromophenyl)ethylideneazanium

Drug info:

PubChemData

Smile

CC(=[NH2+])C1=CC(=CC=C1)OC

DOS

IR

Vibrations