Geometry & MOs

Info

ID:	294228
PubChem CID:	117438506
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	65.64
Dipole, Da:	2.31
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=CC=C2S1)C3=NOC(=N3)CN

DOS

IR

Vibrations