Geometry & MOs

Info

ID:	275609
PubChem CID:	103816764
Reduced:	NO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-235.53
Dipole, Da:	5.0
IP(EA), eV:	-9.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)CC(F)(F)F)O

DOS

IR

Vibrations