Geometry & MOs

Info

ID:	149004
PubChem CID:	53788675
Reduced:	FON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	484.233522
ΔH_f, kcal/mol:	-35.03
Dipole, Da:	0.09
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H]2CN(CCN2)CC3=CC=CC=C3)F

DOS

IR

Vibrations