Geometry & MOs

Info

ID:	72749
PubChem CID:	48416504
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	6.17
IP(EA), eV:	-9.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=NC=C2)Cl)N3CCNC3=O

DOS

IR

Vibrations