Geometry & MOs

Info

ID:	253385
PubChem CID:	103118083
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	290.104876
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	5.23
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-ethylsulfonylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(OC)OC)NC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations