Geometry & MOs

Info

ID:	46783
PubChem CID:	10527286
Reduced:	OC15H26 (2)
Stoich.:	AB15C26 (2)
Weight, g/mol:	444.375602
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	2.2
IP(EA), eV:	-9.85(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO

DOS

IR

Vibrations