Geometry & MOs

Info

ID:	208119
PubChem CID:	80496788
Reduced:	ClSF2O3N4H5C9 (1)
Stoich.:	ABC2D3E4F5G9 (1)
Weight, g/mol:	308.0344
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	8.01
IP(EA), eV:	-10.15(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-2-methyl-5-(2H-triazol-4-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)NC(=O)C2=NNN=C2)F)S(=O)(=O)Cl

DOS

IR

Vibrations