Geometry & MOs

Info

ID:	194818
PubChem CID:	78593365
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	389.125467
ΔH_f, kcal/mol:	-121.41
Dipole, Da:	4.13
IP(EA), eV:	-8.87(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations