Geometry & MOs

Info

ID:	365787
PubChem CID:	127318512
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	2.46
IP(EA), eV:	-10.09(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations