Geometry & MOs

Info

ID:	386438
PubChem CID:	134981753
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	324.097329
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	3.29
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[4-(trifluoromethyl)phenyl]-1,3,3a,4-tetrahydro-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=C3COCC3C2)C(=O)OC

DOS

IR

Vibrations