Geometry & MOs

Info

ID:	394044
PubChem CID:	135022210
Reduced:	SH10C13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	126.78
Dipole, Da:	1.55
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-oxidopyridin-1-ium-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations