Geometry & MOs

Info

ID:	24582
PubChem CID:	611223
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	3.26
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-phenylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations