Geometry & MOs

Info

ID:	374792
PubChem CID:	131344669
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	4.68
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methylpyrimidin-4-yl)amino]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C2C=C(SC2=CC(=C1)O)CC#N

DOS

IR

Vibrations