Geometry & MOs

Info

ID:	374629
PubChem CID:	131342051
Reduced:	OSF3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	127.063329
ΔH_f, kcal/mol:	-155.24
Dipole, Da:	1.92
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(oxetan-3-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)F)C(=C1CO)C(F)F

DOS

IR

Vibrations