Geometry & MOs

Info

ID:	444862
PubChem CID:	135263768
Reduced:	NPO4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	327.8569
ΔH_f, kcal/mol:	-221.42
Dipole, Da:	6.1
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-2-fluoro-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(N1CC=CC=C1)OP(=O)(O)O

DOS

IR

Vibrations