Geometry & MOs

Info

ID:	395712
PubChem CID:	135026299
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	385.97039
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	3.67
IP(EA), eV:	-8.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCCCCC/C=C/[C@@H]1C=CC2=C(C=CC(=C2[C@@H]1O)OC)OC

DOS

IR

Vibrations