Geometry & MOs

Info

ID:	247113
PubChem CID:	103067848
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	186.092376
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	1.75
IP(EA), eV:	-9.0(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CN1CCOC2=CC=CC=C2C1)CCl

DOS

IR

Vibrations