Geometry & MOs

Info

ID:	430887
PubChem CID:	135170954
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	19.7
Dipole, Da:	2.64
IP(EA), eV:	-9.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NN=C(O2)C3CC3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations