Geometry & MOs

Info

ID:	165391
PubChem CID:	74545405
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	310.199148
ΔH_f, kcal/mol:	51.53
Dipole, Da:	2.99
IP(EA), eV:	-8.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

amino-[2-(3-methyl-2,6-dioxo-8-piperidin-1-yl-4,5-dihydropurin-7-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations