Geometry & MOs

Info

ID:	247097
PubChem CID:	103067610
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	201.128427
ΔH_f, kcal/mol:	52.81
Dipole, Da:	2.0
IP(EA), eV:	-8.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]azocane

Drug info:

PubChemData

Smile

C=C(CN(CCC#N)C1=CC=CC=C1)CCl

DOS

IR

Vibrations