Geometry & MOs

Info

ID:	252506
PubChem CID:	103111828
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	5.73
IP(EA), eV:	-9.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=C(N=N1)C(=O)OCCOC)C

DOS

IR

Vibrations