Geometry & MOs

Info

ID:

11182

PubChem CID:

111593

Reduced:

NH16C17 (1)

Stoich.:

AB16C17 (1)

Weight, g/mol:

234.128275

ΔHf, kcal/mol:

62.49

Dipole, Da:

2.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.125168

Charge, e:

 1

Chem-info

IUPAC name:

1-benzyl-2-methylquinolin-1-ium

Drug info:

PubChemData

Smile

CC1=[N+](C2=CC=CC=C2C=C1)CC3=CC=CC=C3

DOS

IR

Vibrations