Geometry & MOs

Info

ID:

413458

PubChem CID:

135086407

Reduced:

NC9H12 (1)

Stoich.:

AB9C12 (1)

Weight, g/mol:

134.096974

ΔHf, kcal/mol:

15.78

Dipole, Da:

1.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.061173

Charge, e:

 1

Chem-info

IUPAC name:

1-phenylpropylideneazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=[NH2+])C

DOS

IR

Vibrations