Geometry & MOs

Info

ID:	261572
PubChem CID:	103240897
Reduced:	N2O2F3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-208.5
Dipole, Da:	4.45
IP(EA), eV:	-9.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(2-propoxyphenoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=O)N1)OC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations