Geometry & MOs

Info

ID:	228686
PubChem CID:	87565541
Reduced:	LiNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	27.04
Dipole, Da:	5.75
IP(EA), eV:	-7.13(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzaldehyde

Drug info:

PubChemData

Smile

[Li+].[CH2-]CCC(C1=CC=CC=C1)N2CCCCC2

DOS

IR

Vibrations