Geometry & MOs

Info

ID:	148453
PubChem CID:	53788115
Reduced:	OC20H34 (1)
Stoich.:	AB20C34 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	3.13
IP(EA), eV:	-9.37(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,9aS)-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylic acid

Drug info:

PubChemData

Smile

CC=C[C@H]1CCC[C@@H]1CC(=O)CCCCCC2CCCC2

DOS

IR

Vibrations