Geometry & MOs

Info

ID:	16746
PubChem CID:	476223
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	7.96
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]imidazo[4,5-d][1,3]oxazin-7-one

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2N=C(OC3=O)N

DOS

IR

Vibrations