Geometry & MOs

Info

ID:	278753
PubChem CID:	103837669
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	17.12
Dipole, Da:	5.98
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NCC2(CC2)C3CC3)Cl

DOS

IR

Vibrations