Geometry & MOs

Info

ID:	43089
PubChem CID:	10318409
Reduced:	OPSeN2C17H35 (1)
Stoich.:	ABCD2E17F35 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	3.97
IP(EA), eV:	-7.41(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[6-fluoro-5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCCCC(C(C)C)OP1(=[Se])N([C@@H]2CCCC[C@H]2N1C)C

DOS

IR

Vibrations