Geometry & MOs

Info

ID:	191933
PubChem CID:	78204603
Reduced:	ON6H16C17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	99.15
Dipole, Da:	7.48
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2C3C(C(=C(OC3NN2)N)C#N)C4=CC=NC=C4

DOS

IR

Vibrations