Geometry & MOs

Info

ID:	212507
PubChem CID:	81060763
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	329.05276
ΔH_f, kcal/mol:	15.49
Dipole, Da:	5.37
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2,6-dimethylanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2(CCCC2)C

DOS

IR

Vibrations