Geometry & MOs

Info

ID:

79946

PubChem CID:

49831677

Reduced:

O8C41H56 (1)

Stoich.:

A8B41C56 (1)

Weight, g/mol:

234.198365

ΔHf, kcal/mol:

-330.07

Dipole, Da:

5.69

IP(EA), eV:

 -9.0(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)CO)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations