Geometry & MOs

Info

ID:	153693
PubChem CID:	56312987
Reduced:	SF3N3O5C19H22 (1)
Stoich.:	AB3C3D5E19F22 (1)
Weight, g/mol:	451.127439
ΔH_f, kcal/mol:	-295.52
Dipole, Da:	3.8
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(O1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations