Geometry & MOs

Info

ID:	35699
PubChem CID:	7980217
Reduced:	INO4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	3.05
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2I

DOS

IR

Vibrations