Geometry & MOs

Info

ID:	66223
PubChem CID:	46500455
Reduced:	NO2F3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	361.128963
ΔH_f, kcal/mol:	-197.43
Dipole, Da:	7.15
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[2-methyl-1-(3-phenoxypropyl)indol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)C(F)(F)F

DOS

IR

Vibrations