Geometry & MOs

Info

ID:	264585
PubChem CID:	103472586
Reduced:	O2F3N3C12H16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-185.79
Dipole, Da:	6.67
IP(EA), eV:	-9.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methylpiperidin-4-yl)methylamino]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2CNC(C2C1)C3=NC(=NO3)COCC(F)(F)F

DOS

IR

Vibrations