Geometry & MOs

Info

ID:	430494
PubChem CID:	135170558
Reduced:	N3C8H15 (1)
Stoich.:	A3B8C15 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	20.16
Dipole, Da:	1.6
IP(EA), eV:	-8.58(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-tert-butyl-3-methyl-1,2,4-triazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CCC1=NN(C(=NC1)C)CC

DOS

IR

Vibrations