Geometry & MOs

Info

ID:	199648
PubChem CID:	79276882
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	266.106671
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	3.25
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)N(CC=C)CC(=O)O

DOS

IR

Vibrations