Geometry & MOs

Info

ID:	351759
PubChem CID:	127282159
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	3.22
IP(EA), eV:	-9.14(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3)C

DOS

IR

Vibrations