Geometry & MOs

Info

ID:	384914
PubChem CID:	134977940
Reduced:	CH (26)
Stoich.:	AB (26)
Weight, g/mol:	298.266051
ΔH_f, kcal/mol:	85.15
Dipole, Da:	1.27
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-hex-1-ynyl-1-methyl-4-pentylbenzene

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)C)C2=CC=CC=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations