Geometry & MOs

Info

ID:	373511
PubChem CID:	131316325
Reduced:	N2O4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	197.070145
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	5.97
IP(EA), eV:	-10.31(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pyrimidin-4-ylamino)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1C#N)[N+](=O)[O-])CO

DOS

IR

Vibrations