Geometry & MOs

Info

ID:	374610
PubChem CID:	131342026
Reduced:	SF2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	182.153147
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	2.0
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,2,4-triazol-3-yl)-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1OC(F)F)C=CS2)O

DOS

IR

Vibrations