Geometry & MOs

Info

ID:	401735
PubChem CID:	135052344
Reduced:	ON2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	571.134705
ΔH_f, kcal/mol:	71.58
Dipole, Da:	1.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141849
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-(2-aminopyridin-1-ium-1-yl)-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]benzamide;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=[N+]2N)C#CCO

DOS

IR

Vibrations