Geometry & MOs

Info

ID:	356093
PubChem CID:	127291129
Reduced:	Cl2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	385.095997
ΔH_f, kcal/mol:	-128.63
Dipole, Da:	2.35
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichlorobenzoyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations