Geometry & MOs

Info

ID:	150168
PubChem CID:	53789855
Reduced:	F2O4C29H40 (1)
Stoich.:	A2B4C29D40 (1)
Weight, g/mol:	525.335528
ΔH_f, kcal/mol:	-268.41
Dipole, Da:	3.45
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(diethylamino)-2-methylphenyl]-6-(dimethylamino)-3-[2-[(4-methylcyclohexyl)amino]phenyl]-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(CCC)F)F

DOS

IR

Vibrations