Geometry & MOs

Info

ID:	328594
PubChem CID:	126725847
Reduced:	NC9H21 (1)
Stoich.:	AB9C21 (1)
Weight, g/mol:	299.1674
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	2.07
IP(EA), eV:	-9.05(3.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-tert-butylnaphthalen-1-yl)ethynyl]-2-methylpyridine

Drug info:

PubChemData

Smile

C[C@H](C(C(C)C)C(C)C)N

DOS

IR

Vibrations