Geometry & MOs

Info

ID:	169220
PubChem CID:	75076282
Reduced:	FO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	279.074287
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	2.21
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-ethoxy-3-oxoprop-1-enyl)-4-nitrophenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=C(C=C1C(C)C(=O)O)F)C2=CC=CC=C2

DOS

IR

Vibrations