Geometry & MOs

Info

ID:	151219
PubChem CID:	53790919
Reduced:	NOC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	281.081184
ΔH_f, kcal/mol:	30.65
Dipole, Da:	1.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770726
Charge, e:	0

Chem-info

IUPAC name:

[(5-fluoro-2,4-dioxopyrimidin-1-yl)-(1-methyl-4H-pyridin-3-yl)methyl] formate

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CC(C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations