Geometry & MOs

Info

ID:	154920
PubChem CID:	56314470
Reduced:	OF3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	420.166077
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	5.12
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCC2=CNC3=CC=CC=C32)C(F)(F)F

DOS

IR

Vibrations