Geometry & MOs

Info

ID:	430834
PubChem CID:	135170901
Reduced:	ON3F4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-196.31
Dipole, Da:	7.66
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations