Geometry & MOs

Info

ID:	288020
PubChem CID:	104308403
Reduced:	Cl2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	220.080097
ΔH_f, kcal/mol:	33.12
Dipole, Da:	2.79
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=C(C=C(C=N2)Cl)Cl)CCCN

DOS

IR

Vibrations