Geometry & MOs

Info

ID:	244327
PubChem CID:	99344034
Reduced:	ClON2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	422.149124
ΔH_f, kcal/mol:	3.72
Dipole, Da:	5.23
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-phenyl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CN(N=C1)CC2=CC=NC=C2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations