Geometry & MOs

Info

ID:	66229
PubChem CID:	46500464
Reduced:	BrNF3O3H17C20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	374.124212
ΔH_f, kcal/mol:	-202.12
Dipole, Da:	6.56
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[2-methyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCCN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations