Geometry & MOs

Info

ID:	212353
PubChem CID:	81060247
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	22.57
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2CC3CCC2C3

DOS

IR

Vibrations