Geometry & MOs

Info

ID:	129472
PubChem CID:	51072707
Reduced:	NOF4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	348.159769
ΔH_f, kcal/mol:	-216.7
Dipole, Da:	3.21
IP(EA), eV:	-9.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-[1-(3-fluorophenyl)ethylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)NCC(F)(F)F)F

DOS

IR

Vibrations