Geometry & MOs

Info

ID:	295094
PubChem CID:	117516747
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	343.9808
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	5.41
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)OC)CC2CCCNC2)Br

DOS

IR

Vibrations