Geometry & MOs

Info

ID:	195442
PubChem CID:	78686468
Reduced:	NCl3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	365.058549
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	2.66
IP(EA), eV:	-9.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations