Geometry & MOs

Info

ID:	163054
PubChem CID:	57581500
Reduced:	ClON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	476.117067
ΔH_f, kcal/mol:	49.04
Dipole, Da:	3.14
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-[4-(3,4-dichlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)Cl

DOS

IR

Vibrations