Geometry & MOs

Info

ID:	378399
PubChem CID:	134224479
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	613.2952
ΔH_f, kcal/mol:	-202.48
Dipole, Da:	4.15
IP(EA), eV:	-10.0(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylamino)-5-[3-[[(1S)-2-ethoxy-2-formylcyclohexyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)OCCCCC(=O)CCO

DOS

IR

Vibrations