Geometry & MOs

Info

ID:	363729
PubChem CID:	127313359
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	5.57
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations