Geometry & MOs

Info

ID:	251593
PubChem CID:	103105168
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	4.08
IP(EA), eV:	-10.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCOCC2)C

DOS

IR

Vibrations