Geometry & MOs

Info

ID:	151116
PubChem CID:	53790814
Reduced:	ClSO2F3N4H6C14 (1)
Stoich.:	ABC2D3E4F6G14 (1)
Weight, g/mol:	236.082874
ΔH_f, kcal/mol:	43.49
Dipole, Da:	7.65
IP(EA), eV:	-9.07(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=C(C=CC(=C23)S(=O)(=O)C(F)(F)F)N4N=CN=N4)Cl

DOS

IR

Vibrations