Geometry & MOs

Info

ID:

448491

PubChem CID:

135291339

Reduced:

NO15C46H68 (2)

Stoich.:

AB15C46D68 (2)

Weight, g/mol:

217.107834

ΔHf, kcal/mol:

-1264.97

Dipole, Da:

2.38

IP(EA), eV:

 -8.23(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-5-methyl-3-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCOCC(CC(CC(CC(CC(CC(CC(C)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)[N+](C)(CCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)O)CCOCOCC[N+](C)(CCOC)C(CCOC3=CC=C(C=C3)C(C4=CC=CC=C4)O)CC(CC(CC(CC(CC(C)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations