Geometry & MOs

Info

ID:	54874
PubChem CID:	17389460
Reduced:	ClNO5H24C27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	378.185789
ΔH_f, kcal/mol:	61.5
Dipole, Da:	14.83
IP(EA), eV:	-9.28(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)/C=C\C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations