Geometry & MOs

Info

ID:	326533
PubChem CID:	126687729
Reduced:	ON2F3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	336.144948
ΔH_f, kcal/mol:	-189.34
Dipole, Da:	3.63
IP(EA), eV:	-9.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)CC2=C(C=CC3=C2CCC3)C(F)(F)F

DOS

IR

Vibrations