Geometry & MOs

Info

ID:	351944
PubChem CID:	127282862
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	389.24269
ΔH_f, kcal/mol:	-127.72
Dipole, Da:	3.56
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-methoxypyridin-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations