Geometry & MOs

Info

ID:	264590
PubChem CID:	103472988
Reduced:	N4O4C11H12 (1)
Stoich.:	A4B4C11D12 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	2.69
IP(EA), eV:	-9.77(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-cyano-3-nitropyridin-2-yl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1COCC(N1C2=C(C=C(C=N2)C#N)[N+](=O)[O-])CO

DOS

IR

Vibrations