Geometry & MOs

Info

ID:	69298
PubChem CID:	46530614
Reduced:	ClN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-31.85
Dipole, Da:	1.47
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-chloro-2-methylphenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations