Geometry & MOs

Info

ID:	264551
PubChem CID:	103469402
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	235.060643
ΔH_f, kcal/mol:	97.83
Dipole, Da:	2.9
IP(EA), eV:	-8.97(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-6-cyanopyridin-2-yl)imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=C(C=C(C=N2)C#N)N

DOS

IR

Vibrations