Geometry & MOs

Info

ID:	430502
PubChem CID:	135170566
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	174.090546
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.91
IP(EA), eV:	-9.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(N(C1=O)C)OC(=O)OC(C)(C)C

DOS

IR

Vibrations