Geometry & MOs

Info

ID:	150669
PubChem CID:	53790363
Reduced:	ON2C8H20 (1)
Stoich.:	AB2C8D20 (1)
Weight, g/mol:	388.313001
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	4.04
IP(EA), eV:	-8.8(2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-butylcyclohexyl)hex-3-en-1,5-diynyl]-4-heptylbenzene

Drug info:

PubChemData

Smile

CN(C)CCCCC(CN)O

DOS

IR

Vibrations