Geometry & MOs

Info

ID:	351742
PubChem CID:	127282142
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-58.21
Dipole, Da:	4.26
IP(EA), eV:	-9.26(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-quinolin-8-ylacetyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations