Geometry & MOs

Info

ID:	292871
PubChem CID:	117362197
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	5.02
IP(EA), eV:	-9.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopropyloxyphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CN=C2C=C(C=CC2=N1)C3(CC3)C(=O)O

DOS

IR

Vibrations