Geometry & MOs

Info

ID:	66231
PubChem CID:	46500466
Reduced:	BrN2O2F4H11C18 (1)
Stoich.:	AB2C2D4E11F18 (1)
Weight, g/mol:	361.128963
ΔH_f, kcal/mol:	-201.38
Dipole, Da:	8.18
IP(EA), eV:	-9.49(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F)F

DOS

IR

Vibrations