Geometry & MOs

Info

ID:	291632
PubChem CID:	113454394
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	297.9953
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	3.03
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=C(N=C(NC1=O)C2=C(C=CO2)C)O

DOS

IR

Vibrations