Geometry & MOs

Info

ID:	360533
PubChem CID:	127301178
Reduced:	ClN3O5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-191.3
Dipole, Da:	3.58
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C2)NC(=O)CN3CCC(=O)NC3=O)Cl)OC1

DOS

IR

Vibrations