Geometry & MOs

Info

ID:	247108
PubChem CID:	103067820
Reduced:	ClNOC8H14 (1)
Stoich.:	ABCD8E14 (1)
Weight, g/mol:	220.076726
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	2.21
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)prop-2-enyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

C=C(CN1CCC(C1)O)CCl

DOS

IR

Vibrations