Geometry & MOs

Info

ID:	12270
PubChem CID:	133923
Reduced:	N2O3C12H12 (2)
Stoich.:	A2B3C12D12 (2)
Weight, g/mol:	464.169585
ΔH_f, kcal/mol:	-168.44
Dipole, Da:	8.37
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 4-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations