Geometry & MOs

Info

ID:	212564
PubChem CID:	81061019
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	329.05276
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	8.17
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCNC(=O)CNC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations