Geometry & MOs

Info

ID:	374734
PubChem CID:	131342567
Reduced:	ClON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	6.12
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C2=CC(=C(C(=C2)Cl)N)C#N

DOS

IR

Vibrations