Geometry & MOs

Info

ID:	397362
PubChem CID:	135030113
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	167.086075
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	1.12
IP(EA), eV:	-8.17(0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclohexatrienyl)-2-methylbenzene

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)OC)N2CCN(CC2)CC

DOS

IR

Vibrations