Geometry & MOs

Info

ID:	251641
PubChem CID:	103105577
Reduced:	SO2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	57.7
Dipole, Da:	3.3
IP(EA), eV:	-10.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-ethoxyphenyl)-1-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CN=CS2)C3=CC=NC=C3

DOS

IR

Vibrations