Geometry & MOs

Info

ID:	194400
PubChem CID:	78529493
Reduced:	ClN2O6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	405.089849
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	2.88
IP(EA), eV:	-8.47(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations