Geometry & MOs

Info

ID:	264578
PubChem CID:	103471674
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	0.37
Dipole, Da:	12.52
IP(EA), eV:	-9.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC2=NC(=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations