Geometry & MOs

Info

ID:	212223
PubChem CID:	81059882
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	5.32
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[methyl(pentan-2-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=CC=C2OC)OC

DOS

IR

Vibrations