Geometry & MOs

Info

ID:	212983
PubChem CID:	81062443
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	5.49
IP(EA), eV:	-9.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-methyl-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)N(C)CCOCC

DOS

IR

Vibrations