Geometry & MOs

Info

ID:	251850
PubChem CID:	103107339
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-23.64
Dipole, Da:	5.24
IP(EA), eV:	-9.22(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(2-cyclopropylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC(C)C(=O)N(C)CC

DOS

IR

Vibrations