Geometry & MOs

Info

ID:	244846
PubChem CID:	99431460
Reduced:	F3O3N5C21H22 (1)
Stoich.:	A3B3C5D21E22 (1)
Weight, g/mol:	396.08524
ΔH_f, kcal/mol:	-177.81
Dipole, Da:	7.04
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations