Geometry & MOs

Info

ID:	49455
PubChem CID:	11533046
Reduced:	NF3O7C22H30 (1)
Stoich.:	AB3C7D22E30 (1)
Weight, g/mol:	477.223926
ΔH_f, kcal/mol:	-456.23
Dipole, Da:	1.98
IP(EA), eV:	-9.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](C(=O)OC)OC(=O)[C@](C1=CC=CC=C1)(C(F)(F)F)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations