Geometry & MOs

Info

ID:	351711
PubChem CID:	127282111
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	5.49
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3)C#N

DOS

IR

Vibrations