Geometry & MOs

Info

ID:	294023
PubChem CID:	117422642
Reduced:	ClFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	0.61
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-1-methylpyrazol-4-yl)-2-chloro-6-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2Cl)F)C3=CC(=NN3)N

DOS

IR

Vibrations