Geometry & MOs

Info

ID:	212331
PubChem CID:	81060189
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	40.97
Dipole, Da:	4.94
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2CC2(C)C

DOS

IR

Vibrations