Geometry & MOs

Info

ID:	310876
PubChem CID:	126588345
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	2.57
IP(EA), eV:	-8.75(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(4-methoxy-3-methylphenyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CC/C=C(\N(C)/N=C/C1CC(=C(C=C1)OC)C)/Cl

DOS

IR

Vibrations