Geometry & MOs

Info

ID:	147163
PubChem CID:	53786816
Reduced:	BrO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	298.229666
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	1.98
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=C(C(=C2)OC(=O)C)C)C3C1C4CC/C(=C\CBr)/C4(CC3)C

DOS

IR

Vibrations