Geometry & MOs

Info

ID:	431152
PubChem CID:	135171222
Reduced:	F3N3O3C22H28 (1)
Stoich.:	A3B3C3D22E28 (1)
Weight, g/mol:	339.155847
ΔH_f, kcal/mol:	-294.63
Dipole, Da:	3.75
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations