Geometry & MOs

Info

ID:	343554
PubChem CID:	127266727
Reduced:	O2N7C15H21 (1)
Stoich.:	A2B7C15D21 (1)
Weight, g/mol:	303.144373
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	3.33
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methyl-3-nitropyridin-2-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)N2CCC(CC2)C3=NC(=NN3)N

DOS

IR

Vibrations