Geometry & MOs

Info

ID:	254286
PubChem CID:	103123976
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	17.36
Dipole, Da:	2.57
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-piperidin-4-yl-1-(1,3-thiazol-5-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations