Geometry & MOs

Info

ID:	51654
PubChem CID:	12014361
Reduced:	O3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	7.52
IP(EA), eV:	-9.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylbenzoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)O)[C@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations