Geometry & MOs

Info

ID:	48455
PubChem CID:	10584905
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	2.07
IP(EA), eV:	-9.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(1Z)-hepta-1,6-dienyl]bicyclo[2.2.1]heptane-2-carbaldehyde

Drug info:

PubChemData

Smile

C1/C=C\COC(=O)CC(O1)C2=CC=CC=C2

DOS

IR

Vibrations