Geometry & MOs

Info

ID:	430750
PubChem CID:	135170817
Reduced:	OF3N3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	443.218447
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	3.04
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(2,2,2-trifluoro-1-phenylethyl)amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC(C2=CC=CC=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations