Geometry & MOs

Info

ID:	251572
PubChem CID:	103104981
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	5.28
IP(EA), eV:	-9.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)C(C)C)C

DOS

IR

Vibrations