Geometry & MOs

Info

ID:	45513
PubChem CID:	10514364
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	244.085935
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	3.5
IP(EA), eV:	-9.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[(5R,7R)-7-methyl-1,4-dioxepan-5-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN2C(=O)C[C@H]3[C@@]2(CC(=O)O3)C4=CC=CC=C41

DOS

IR

Vibrations