Geometry & MOs

Info

ID:	177730
PubChem CID:	76221547
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	179.085875
ΔH_f, kcal/mol:	1.49
Dipole, Da:	4.44
IP(EA), eV:	-8.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-amino-2-fluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S)O)C(CC#N)N

DOS

IR

Vibrations