Geometry & MOs

Info

ID:	284816
PubChem CID:	104072311
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	261.126598
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	5.64
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-methylphenyl)ethylamino]benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

CN(C)CCSCC1=CC=C(O1)C=O

DOS

IR

Vibrations