Geometry & MOs

Info

ID:	351800
PubChem CID:	127282200
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	4.36
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(quinoline-8-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CCC3=CSC=C3

DOS

IR

Vibrations