Geometry & MOs

Info

ID:	280110
PubChem CID:	103846937
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	245.025499
ΔH_f, kcal/mol:	-203.17
Dipole, Da:	3.47
IP(EA), eV:	-9.64(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5-fluoroanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC(=O)CCC(=O)O

DOS

IR

Vibrations