Geometry & MOs

Info

ID:	402551
PubChem CID:	135056347
Reduced:	BrClMgO2C3H4 (1)
Stoich.:	ABCD2E3F4 (1)
Weight, g/mol:	235.045628
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	3.07
IP(EA), eV:	-10.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-(difluoromethoxy)-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)OCl=[Mg])Br

DOS

IR

Vibrations