Geometry & MOs

Info

ID:	35870
PubChem CID:	7980426
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	398.072571
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	5.35
IP(EA), eV:	-9.2(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations