Geometry & MOs

Info

ID:	395711
PubChem CID:	135026296
Reduced:	NOH23C27 (1)
Stoich.:	ABC23D27 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	54.19
Dipole, Da:	4.26
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-5,8-dimethoxy-2-[(E)-oct-1-enyl]-1,2-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H]3[C@@H]4C(=CC(=NC5=CC=CC=C45)C6=CC=CC=C6)C[C@H]2O3

DOS

IR

Vibrations