Geometry & MOs

Info

ID:	293881
PubChem CID:	117409411
Reduced:	BrNO3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	262.058971
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	3.76
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1OC)Br)CON)O

DOS

IR

Vibrations