Geometry & MOs

Info

ID:	39486
PubChem CID:	8140976
Reduced:	FCl2N2O2H13C16 (1)
Stoich.:	AB2C2D2E13F16 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	5.67
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations