Geometry & MOs

Info

ID:	261650
PubChem CID:	103243500
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	2.41
IP(EA), eV:	-9.12(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-fluoro-2-methylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)COCCNCC1CCCCO1

DOS

IR

Vibrations