Geometry & MOs

Info

ID:	5843
PubChem CID:	13895
Reduced:	C7H11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	0.02
IP(EA), eV:	-8.91(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-ditert-butylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations