Geometry & MOs

Info

ID:	253416
PubChem CID:	103118309
Reduced:	ION4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	76.75
Dipole, Da:	7.28
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-thiophen-2-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(C=C3)I

DOS

IR

Vibrations