Geometry & MOs

Info

ID:	337861
PubChem CID:	127258484
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	355.10673
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	1.54
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(2-fluoro-3-nitrophenyl)-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCC\1=CC=CC(=O)/C1=C\C2=CC=CC=C2C#N

DOS

IR

Vibrations