Geometry & MOs

Info

ID:	25634
PubChem CID:	627675
Reduced:	BrN3O6C10H12 (1)
Stoich.:	AB3C6D10E12 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	3.43
IP(EA), eV:	-10.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-4-methylphthalazin-1-one

Drug info:

PubChemData

Smile

C1C=C(C2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Br

DOS

IR

Vibrations