Geometry & MOs

Info

ID:	430920
PubChem CID:	135170990
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	4.29
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NO2)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations