Geometry & MOs

Info

ID:	430800
PubChem CID:	135170867
Reduced:	OF2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	4.85
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-N-ethyl-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC(=C4)F

DOS

IR

Vibrations