Geometry & MOs

Info

ID:	430802
PubChem CID:	135170869
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	437.229012
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	3.72
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-3-(oxan-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H]1CCC[C@H](C1)N[C@@H]2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations