Geometry & MOs

Info

ID:	261595
PubChem CID:	103241620
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	239.050633
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.32
IP(EA), eV:	-9.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(2,3-difluorophenoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNCC2=C(C=CO2)C(=O)O

DOS

IR

Vibrations