Geometry & MOs

Info

ID:	336802
PubChem CID:	127255809
Reduced:	N2O3H4C7 (1)
Stoich.:	A2B3C4D7 (1)
Weight, g/mol:	167.074642
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	4.42
IP(EA), eV:	-10.46(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-6-fluoro-2,3-dihydro-1H-inden-5-ol

Drug info:

PubChemData

Smile

C1=COC(=N1)/C=C(\C#N)/C(=O)O

DOS

IR

Vibrations