Geometry & MOs

Info

ID:	375959
PubChem CID:	134221956
Reduced:	FNO2C24H28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	367.07509
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	6.1
IP(EA), eV:	-8.01(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N2C)(C)C)C(=C1CC=O)C3=CC(=C4C(=C3C)CCCO4)F

DOS

IR

Vibrations