Geometry & MOs

Info

ID:	202552
PubChem CID:	79686084
Reduced:	ClSN3O4C10H12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	240.087433
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	6.33
IP(EA), eV:	-9.25(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylazetidin-1-yl)-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CNC[C@H]1NS(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations