Geometry & MOs

Info

ID:	212441
PubChem CID:	81060553
Reduced:	N3C14H21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	19.75
Dipole, Da:	5.4
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-methylsulfanylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)C1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations