Geometry & MOs

Info

ID:	29641
PubChem CID:	836018
Reduced:	FON2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	314.101505
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	1.91
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-4-methyl-7-(phenoxymethyl)-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations