Geometry & MOs

Info

ID:	148106
PubChem CID:	53787768
Reduced:	O7C34H34 (1)
Stoich.:	A7B34C34 (1)
Weight, g/mol:	276.245316
ΔH_f, kcal/mol:	-195.52
Dipole, Da:	3.91
IP(EA), eV:	-9.53(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-4-[4-(4-methoxycyclohexyl)but-3-enyl]cyclohexane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

DOS

IR

Vibrations