Geometry & MOs

Info

ID:	329815
PubChem CID:	127246682
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	51.89
Dipole, Da:	7.65
IP(EA), eV:	-9.51(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CN=C(C=C3)N4C=CN=C4)C

DOS

IR

Vibrations