Geometry & MOs

Info

ID:	197403
PubChem CID:	78962804
Reduced:	ON6C7H8 (1)
Stoich.:	AB6C7D8 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	56.68
Dipole, Da:	3.15
IP(EA), eV:	-9.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CN=C(N1)CNC(=O)C2=NNN=C2

DOS

IR

Vibrations