Geometry & MOs

Info

ID:	397593
PubChem CID:	135030434
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	348.04563
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	6.14
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-oxo-1H-2-benzofuran-1-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1(CN(C(=O)C(N1)(C)C)C2=CN=CC=C2)C

DOS

IR

Vibrations