Geometry & MOs

Info

ID:	254281
PubChem CID:	103123913
Reduced:	ClON3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	62.55
Dipole, Da:	2.84
IP(EA), eV:	-9.78(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-piperidin-4-yl-1-(thiophen-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C3C=NC=CN3N=C2)Cl

DOS

IR

Vibrations