Geometry & MOs

Info

ID:	36838
PubChem CID:	8013568
Reduced:	NO4C10H11 (2)
Stoich.:	AB4C10D11 (2)
Weight, g/mol:	362.022498
ΔH_f, kcal/mol:	-210.42
Dipole, Da:	7.19
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyanoanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations