Geometry & MOs

Info

ID:	148417
PubChem CID:	53788079
Reduced:	BrCl2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	418.359951
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	4.31
IP(EA), eV:	-9.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-hexylcyclohexyl)but-3-en-1-ynyl]-4-(4-propylcyclohexyl)benzene

Drug info:

PubChemData

Smile

CCCC1(C(C1C(=O)O)C(=C(Cl)Br)Cl)CC

DOS

IR

Vibrations