Geometry & MOs

Info

ID:	327334
PubChem CID:	126689569
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	388.075628
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	9.09
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-fluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC12C(C1C(=O)O)CC3=CC(=NC=C23)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations