Geometry & MOs

Info

ID:	295114
PubChem CID:	117517687
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	349.99022
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	4.69
IP(EA), eV:	-9.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=CC=C2)Br)C(C(=O)O)N

DOS

IR

Vibrations