Geometry & MOs

Info

ID:	293602
PubChem CID:	117394180
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	9.78
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclobutylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C1)C=C(C=C2)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations