Geometry & MOs

Info

ID:	177729
PubChem CID:	76221546
Reduced:	OF2N2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-hydroxy-3-sulfanylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)F)O)C(CC#N)N

DOS

IR

Vibrations