Geometry & MOs

Info

ID:	6821
PubChem CID:	70162
Reduced:	C5H6 (3)
Stoich.:	A5B6 (3)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	7.09
Dipole, Da:	0.89
IP(EA), eV:	-8.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-methylnaphthalene

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC=CC=C12)C(C)(C)C

DOS

IR

Vibrations