Geometry & MOs

Info

ID:	212338
PubChem CID:	81060208
Reduced:	SN3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	256.143645
ΔH_f, kcal/mol:	58.57
Dipole, Da:	5.86
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations