Geometry & MOs

Info

ID:	253568
PubChem CID:	103119302
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	7.08
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-phenylsulfanylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CO1)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations