Geometry & MOs

Info

ID:	362114
PubChem CID:	127305796
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	6.44
IP(EA), eV:	-8.19(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-2H-phthalazine-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)COC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations