Geometry & MOs

Info

ID:	251583
PubChem CID:	103105067
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-64.66
Dipole, Da:	4.94
IP(EA), eV:	-10.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-nonyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCN1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations