Geometry & MOs

Info

ID:	386596
PubChem CID:	134982267
Reduced:	OC20H28 (1)
Stoich.:	AB20C28 (1)
Weight, g/mol:	318.198365
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	1.2
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-[(3E)-3-methyl-4-phenylbuta-1,3-dien-2-yl]oxycyclohexyl]benzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=C)/C=C/C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations