Geometry & MOs

Info

ID:	253091
PubChem CID:	103115964
Reduced:	ClON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	34.16
Dipole, Da:	2.78
IP(EA), eV:	-8.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-aminoethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N)Cl

DOS

IR

Vibrations