Geometry & MOs

Info

ID:

6583

PubChem CID:

69063

Reduced:

NC12H14 (1)

Stoich.:

AB12C14 (1)

Weight, g/mol:

172.112624

ΔHf, kcal/mol:

28.62

Dipole, Da:

1.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.147883

Charge, e:

 1

Chem-info

IUPAC name:

1-ethyl-4-methylquinolin-1-ium

Drug info:

PubChemData

Smile

CC[N+]1=CC=C(C2=CC=CC=C21)C

DOS

IR

Vibrations