Geometry & MOs

Info

ID:	210421
PubChem CID:	80804429
Reduced:	ClN5C13H22 (1)
Stoich.:	AB5C13D22 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	23.27
Dipole, Da:	3.75
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N2CCC(CC2)CN(C)C)Cl

DOS

IR

Vibrations