Geometry & MOs

Info

ID:	184133
PubChem CID:	77115349
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	7.76
IP(EA), eV:	-9.71(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-but-2-enyl-3-methyl-8-(4-propanoylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CNC(=O)CCC1C(=O)N=C2C=CC=CC2=N1

DOS

IR

Vibrations