Geometry & MOs

Info

ID:	431172
PubChem CID:	135171242
Reduced:	OF3N3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	431.182062
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	6.39
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,5S)-5-(benzylamino)oxan-3-yl]-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=CC=C4

DOS

IR

Vibrations