Geometry & MOs

Info

ID:	431166
PubChem CID:	135171236
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	339.155847
ΔH_f, kcal/mol:	59.22
Dipole, Da:	4.94
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations