Geometry & MOs

Info

ID:	430888
PubChem CID:	135170955
Reduced:	ON3F4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-197.97
Dipole, Da:	3.03
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations