Geometry & MOs

Info

ID:	373618
PubChem CID:	131317938
Reduced:	INOF3H3C8 (1)
Stoich.:	ABCD3E3F8 (1)
Weight, g/mol:	210.080456
ΔH_f, kcal/mol:	-118.11
Dipole, Da:	4.94
IP(EA), eV:	-10.04(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-2-amino-1-hydroxypropan-2-yl]-2-fluoro-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)F)I)OC(F)F

DOS

IR

Vibrations