Geometry & MOs

Info

ID:	127691
PubChem CID:	51011507
Reduced:	OC23H28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	2.4
IP(EA), eV:	-9.14(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S,4S)-1,5,5-trimethyl-6-oxo-2-bicyclo[2.2.2]octanyl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@@H]2O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations