Geometry & MOs

Info

ID:	406927
PubChem CID:	135078944
Reduced:	O3C28H34 (1)
Stoich.:	A3B28C34 (1)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	2.55
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hex-1-ynyl-2-(2-methylprop-1-enyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)C(C)(C#C)OC(=O)C(C)(C)C

DOS

IR

Vibrations