Geometry & MOs

Info

ID:	315445
PubChem CID:	126626740
Reduced:	FSO3C31H35 (1)
Stoich.:	ABC3D31E35 (1)
Weight, g/mol:	396.03366
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	5.93
IP(EA), eV:	-8.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(4-cyclopropylphenoxy)-5-(trifluoromethyl)-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CCC(C3=C(C=C2)F)OC4=CC=C(C=C4)C5CC5)C)OCC(C)(C)S(=O)C

DOS

IR

Vibrations