Geometry & MOs

Info

ID:	27272
PubChem CID:	820116
Reduced:	N2O2F3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-209.7
Dipole, Da:	8.69
IP(EA), eV:	-8.89(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-amino-1,3-diethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC=CNC2=O)C(F)(F)F

DOS

IR

Vibrations