Geometry & MOs

Info

ID:	430839
PubChem CID:	135170906
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-58.32
Dipole, Da:	3.56
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=C(O2)C=CC(=C3)F)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations