Geometry & MOs

Info

ID:	430498
PubChem CID:	135170562
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	228.062281
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	5.98
IP(EA), eV:	-9.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)N(C1OC(=O)C(C)C)C

DOS

IR

Vibrations