Geometry & MOs

Info

ID:	265464
PubChem CID:	103523606
Reduced:	BrClN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	353.9903
ΔH_f, kcal/mol:	-25.52
Dipole, Da:	2.84
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(C2=C(C=CC=N2)Cl)N)OC)Br

DOS

IR

Vibrations