Geometry & MOs

Info

ID:	294569
PubChem CID:	117471107
Reduced:	ClOF3N3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	291.038624
ΔH_f, kcal/mol:	-141.2
Dipole, Da:	4.37
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(F)(F)F)C2=C(NN=C2)N

DOS

IR

Vibrations