Geometry & MOs

Info

ID:	449126
PubChem CID:	135296187
Reduced:	SO4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-201.22
Dipole, Da:	7.04
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-methylpyrazol-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1(CC(C2=C1SC(=C2CCC(=O)O)C(C)(C)C)CC(=O)O)C

DOS

IR

Vibrations