Geometry & MOs

Info

ID:	261686
PubChem CID:	103245465
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	6.5
IP(EA), eV:	-9.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-ethyl-4-(4-fluoro-2-methoxyanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(CC=C1)CNC/C=C/C(=O)O

DOS

IR

Vibrations