Geometry & MOs

Info

ID:	356094
PubChem CID:	127291130
Reduced:	Cl2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	2.85
IP(EA), eV:	-9.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations