Geometry & MOs

Info

ID:	159921
PubChem CID:	57298500
Reduced:	OC29H42 (1)
Stoich.:	AB29C42 (1)
Weight, g/mol:	159.084131
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	1.32
IP(EA), eV:	-8.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCCC[C@@H]2C)OCC3=CC=CC=C3

DOS

IR

Vibrations