Geometry & MOs

Info

ID:	261606
PubChem CID:	103241907
Reduced:	FNOC3H3 (2)
Stoich.:	ABCD3E3 (2)
Weight, g/mol:	237.072511
ΔH_f, kcal/mol:	-160.07
Dipole, Da:	4.08
IP(EA), eV:	-10.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=C(N=CNC1=O)OCC(F)F

DOS

IR

Vibrations