Geometry & MOs

Info

ID:	328207
PubChem CID:	126697644
Reduced:	ClFNO3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	451.135049
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	3.39
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-7-methyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC=C2C(=O)CC3=C(C=C(C=C3)Cl)OCCO

DOS

IR

Vibrations