Geometry & MOs

Info

ID:	372736
PubChem CID:	131303657
Reduced:	NSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	212.051654
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	4.02
IP(EA), eV:	-9.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C=CS2)C(=O)O

DOS

IR

Vibrations