Geometry & MOs

Info

ID:	202557
PubChem CID:	79686972
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	206.061076
ΔH_f, kcal/mol:	37.11
Dipole, Da:	4.67
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)N2CCCCCC2

DOS

IR

Vibrations