Geometry & MOs

Info

ID:	385808
PubChem CID:	134980032
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-268.67
Dipole, Da:	2.13
IP(EA), eV:	-10.06(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,4S)-2-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OC[C@]1(CCC=C[C@H]1CC(=O)OC)C(=O)OC

DOS

IR

Vibrations