Geometry & MOs

Info

ID:	128799
PubChem CID:	51058436
Reduced:	ClINOC9H9 (1)
Stoich.:	ABCDE9F9 (1)
Weight, g/mol:	458.94021
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	5.53
IP(EA), eV:	-9.02(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CI

DOS

IR

Vibrations