Geometry & MOs

Info

ID:	9359
PubChem CID:	88449
Reduced:	NOH13C14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	422.199428
ΔH_f, kcal/mol:	112.57
Dipole, Da:	1.47
IP(EA), eV:	-4.15(-2.82)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(2-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC=C4C

DOS

IR

Vibrations