Geometry & MOs

Info

ID:	218102
PubChem CID:	85088883
Reduced:	O9C22H22 (1)
Stoich.:	A9B22C22 (1)
Weight, g/mol:	428.123303
ΔH_f, kcal/mol:	-319.96
Dipole, Da:	2.68
IP(EA), eV:	-10.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dioxo-1-propylpurin-8-yl)phenyl] N-(4-cyanophenyl)carbamate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)C(=O)OC)OC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations