Geometry & MOs

Info

ID:	251772
PubChem CID:	103106820
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	3.28
IP(EA), eV:	-9.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCC(C2)OC)C3CC3

DOS

IR

Vibrations