Geometry & MOs

Info

ID:	430838
PubChem CID:	135170905
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	12.16
Dipole, Da:	6.39
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-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=C(C3=CC=CC=C3O2)C)C(=O)C4=CC5=C(N4)C=CC(=C5)C#N

DOS

IR

Vibrations