Geometry & MOs

Info

ID:	251648
PubChem CID:	103105644
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	6.79
IP(EA), eV:	-10.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-hexyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CCN2C(=O)CCC2=O)C(=O)OC

DOS

IR

Vibrations