Geometry & MOs

Info

ID:	257397
PubChem CID:	103145811
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	313.026562
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	8.79
IP(EA), eV:	-9.49(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2,5-dimethyl-4-nitrophenyl)-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)N2CCNC2=O

DOS

IR

Vibrations