Geometry & MOs

Info

ID:	148128
PubChem CID:	53787790
Reduced:	N3O6C25H29 (1)
Stoich.:	A3B6C25D29 (1)
Weight, g/mol:	484.233522
ΔH_f, kcal/mol:	-220.81
Dipole, Da:	3.44
IP(EA), eV:	-8.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,2-dimethylpropyl)-1-ethyl-7-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCOC(=O)N=C(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(CC3)CC(=O)OCC)N

DOS

IR

Vibrations