Geometry & MOs

Info

ID:	264580
PubChem CID:	103471894
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-10.75
Dipole, Da:	3.37
IP(EA), eV:	-9.98(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(piperidin-3-ylmethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC1=C(C=C(C=N1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations