Geometry & MOs

Info

ID:	192393
PubChem CID:	78263804
Reduced:	O2N3H11C13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	7.05
IP(EA), eV:	-9.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-9-yl)acetyl]amino]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations