Geometry & MOs

Info

ID:	39484
PubChem CID:	8140974
Reduced:	ClN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	394.00837
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	7.17
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl)OCC

DOS

IR

Vibrations