Geometry & MOs

Info

ID:	285203
PubChem CID:	104098625
Reduced:	SO2F3N4C11H11 (1)
Stoich.:	AB2C3D4E11F11 (1)
Weight, g/mol:	237.097423
ΔH_f, kcal/mol:	-154.15
Dipole, Da:	1.8
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-nitro-N-[2-(triazol-1-yl)ethyl]imidazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCN2C=CN=N2)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations