Geometry & MOs

Info

ID:	351809
PubChem CID:	127282209
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	5.11
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CC3=CSC=C3

DOS

IR

Vibrations