Geometry & MOs

Info

ID:	253435
PubChem CID:	103118419
Reduced:	SO2N4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	292.133554
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	3.46
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-fluoro-2-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCSCCN1C(=C(N=N1)C(=O)OC)CCN

DOS

IR

Vibrations