Geometry & MOs

Info

ID:	147055
PubChem CID:	53786562
Reduced:	OC35H46 (1)
Stoich.:	AB35C46 (1)
Weight, g/mol:	236.156501
ΔH_f, kcal/mol:	-3.2
Dipole, Da:	1.09
IP(EA), eV:	-8.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methyl-3-[1-(2-methylphenyl)ethenyl]benzene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC=CC3CCC(CC3)C4=CC=C(C=C4)OCC

DOS

IR

Vibrations