Geometry & MOs

Info

ID:	202558
PubChem CID:	79687093
Reduced:	ClN2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	240.087433
ΔH_f, kcal/mol:	50.11
Dipole, Da:	3.79
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylazetidin-1-yl)-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1CN(C1)C2=C(C=CC(=C2)Cl)C#N

DOS

IR

Vibrations