Geometry & MOs

Info

ID:	267702
PubChem CID:	103585449
Reduced:	ClOF2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	2.73
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluoro-4-methylanilino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC(=O)C2=CN=C(C=C2)Cl)F

DOS

IR

Vibrations