Geometry & MOs

Info

ID:	264581
PubChem CID:	103472228
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	40.69
Dipole, Da:	4.88
IP(EA), eV:	-9.46(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CNC1)CNC2=C(C=C(C=N2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations