Geometry & MOs

Info

ID:	254245
PubChem CID:	103123672
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	11.14
Dipole, Da:	6.17
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-ethoxypropyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=C(N=CO3)CO

DOS

IR

Vibrations