Geometry & MOs

Info

ID:	14443
PubChem CID:	411557
Reduced:	NOH16C21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	298.123189
ΔH_f, kcal/mol:	58.6
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.412987
Charge, e:	1

Chem-info

IUPAC name:

1-naphthalen-2-yl-2-quinolin-1-ium-1-ylethanone

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations