Geometry & MOs

Info

ID:	165392
PubChem CID:	74545406
Reduced:	O2N7C13H24 (1)
Stoich.:	A2B7C13D24 (1)
Weight, g/mol:	309.191323
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757561
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC[NH2+]N

DOS

IR

Vibrations