Geometry & MOs

Info

ID:	351909
PubChem CID:	127282827
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	1.23
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCOC(C1)C2=CC=CC=C2Cl)N3CCOCC3

DOS

IR

Vibrations