Geometry & MOs

Info

ID:	36924
PubChem CID:	8014826
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-148.75
Dipole, Da:	3.97
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations