Geometry & MOs

Info

ID:	128800
PubChem CID:	51058462
Reduced:	IOCl2N3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	332.035742
ΔH_f, kcal/mol:	46.12
Dipole, Da:	6.81
IP(EA), eV:	-8.58(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-phthalazin-2-ium-2-ylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=[N+](N=CC2=C1)CC(=O)NC3=CC(=C(C=C3)Cl)Cl.[I-]

DOS

IR

Vibrations