Geometry & MOs

Info

ID:	247096
PubChem CID:	103067609
Reduced:	ClNOC10H18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	234.092376
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	3.56
IP(EA), eV:	-8.94(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-[2-(chloromethyl)prop-2-enyl]anilino]propanenitrile

Drug info:

PubChemData

Smile

C=C(CN1CCC(CC1)CO)CCl

DOS

IR

Vibrations