Geometry & MOs

Info

ID:	169697
PubChem CID:	75139088
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	4.46
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenyl-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)OC)CC=C

DOS

IR

Vibrations