Geometry & MOs

Info

ID:	263483
PubChem CID:	103371076
Reduced:	ON2F3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	279.076551
ΔH_f, kcal/mol:	-218.7
Dipole, Da:	4.83
IP(EA), eV:	-9.86(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

CC(C)C(C)OCC(C(=N)N)C(F)(F)F

DOS

IR

Vibrations