Geometry & MOs

Info

ID:	294767
PubChem CID:	117489601
Reduced:	O5C17H20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	5.07
IP(EA), eV:	-8.37(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-tert-butyl-3-hydroxy-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C3=C(CC(O3)C)C(=C2O1)OC)C4(CC4)C(=O)O

DOS

IR

Vibrations