Geometry & MOs

Info

ID:	351799
PubChem CID:	127282199
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-30.33
Dipole, Da:	4.05
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations