Geometry & MOs

Info

ID:	291631
PubChem CID:	113454376
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-99.5
Dipole, Da:	3.86
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(3-methylfuran-2-yl)-5-propyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C2=NOC(=N2)CC(C)(C)CC(=O)O

DOS

IR

Vibrations