Geometry & MOs

Info

ID:	264591
PubChem CID:	103473236
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	7.61
IP(EA), eV:	-9.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-6-(pyrrolidin-2-ylmethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C2=C(C=C(C=N2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations