Geometry & MOs

Info

ID:	279314
PubChem CID:	103843032
Reduced:	BrNOF2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	278.97065
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	5.95
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-2,5-difluoroanilino)acetate

Drug info:

PubChemData

Smile

COCCCNC1=CC(=C(C=C1F)Br)F

DOS

IR

Vibrations