Geometry & MOs

Info

ID:	348440
PubChem CID:	127273541
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	6.75
IP(EA), eV:	-8.99(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyclopropylpiperazin-1-yl)-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)[C@H]3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations