Geometry & MOs

Info

ID:	66221
PubChem CID:	46500451
Reduced:	ClNO2F3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	452.03472
ΔH_f, kcal/mol:	-181.28
Dipole, Da:	6.77
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations