Geometry & MOs

Info

ID:	343879
PubChem CID:	127267055
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	4.14
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-oxo-2-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=N1)N=CN(C2=O)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations