Geometry & MOs

Info

ID:	24652
PubChem CID:	611803
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-108.12
Dipole, Da:	6.56
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexyl-3-methyl-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)C3CCCCC3)C(=O)O

DOS

IR

Vibrations