Geometry & MOs

Info

ID:	368764
PubChem CID:	127330065
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-65.58
Dipole, Da:	4.5
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NC(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations