Geometry & MOs

Info

ID:	294110
PubChem CID:	117427206
Reduced:	ClNSO3H8C11 (1)
Stoich.:	ABCD3E8F11 (1)
Weight, g/mol:	269.073118
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	5.54
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CSC1=C(C(=CC=C1)Cl)C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations