Geometry & MOs

Info

ID:	329755
PubChem CID:	127246622
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	10.0
IP(EA), eV:	-9.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations