Geometry & MOs

Info

ID:	356092
PubChem CID:	127291128
Reduced:	FN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	385.095997
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	5.27
IP(EA), eV:	-9.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorobenzoyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations