Geometry & MOs

Info

ID:	247109
PubChem CID:	103067828
Reduced:	ClN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	257.073805
ΔH_f, kcal/mol:	57.65
Dipole, Da:	4.16
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylprop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations