Geometry & MOs

Info

ID:	217603
PubChem CID:	85088089
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	381.201219
ΔH_f, kcal/mol:	-148.55
Dipole, Da:	3.22
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-oxo-5H-purin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1C(C12C(C(=O)N2C3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations