Geometry & MOs

Info

ID:	251738
PubChem CID:	103106434
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	1.18
IP(EA), eV:	-10.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(3-methylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNN=C1C(C)(C)C

DOS

IR

Vibrations