Geometry & MOs

Info

ID:	187531
PubChem CID:	77585489
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	6.79
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[9-[4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC(N1)CCOC2=CC=C(C=C2)N3C=CC=N3)C(=O)O

DOS

IR

Vibrations