Geometry & MOs

Info

ID:	266878
PubChem CID:	103579859
Reduced:	FOCl2N2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	265.007262
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	1.78
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,5-dichloro-4-fluoroanilino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N)NC1=CC(=C(C(=C1)Cl)F)Cl

DOS

IR

Vibrations