Geometry & MOs

Info

ID:	431337
PubChem CID:	135171412
Reduced:	ClON3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	7.51
Dipole, Da:	2.08
IP(EA), eV:	-9.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methylbuta-1,3-dien-2-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=NNC2=O)N=C1Cl

DOS

IR

Vibrations