Geometry & MOs

Info

ID:	169698
PubChem CID:	75139162
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	496.151348
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	2.26
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(oxolan-2-ylmethyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5CCCO5

DOS

IR

Vibrations