Geometry & MOs

Info

ID:	351812
PubChem CID:	127282212
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	4.69
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C(C)C(=O)NC4CCCC4

DOS

IR

Vibrations