Geometry & MOs

Info

ID:	374151
PubChem CID:	131324478
Reduced:	IOF2N2C7H7 (1)
Stoich.:	ABC2D2E7F7 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	-107.49
Dipole, Da:	4.64
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,5-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1OC(F)F)I)N)N

DOS

IR

Vibrations