Geometry & MOs

Info

ID:	253434
PubChem CID:	103118409
Reduced:	O2N7C12H19 (1)
Stoich.:	A2B7C12D19 (1)
Weight, g/mol:	258.115047
ΔH_f, kcal/mol:	5.39
Dipole, Da:	3.15
IP(EA), eV:	-10.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations