Geometry & MOs

Info

ID:	184102
PubChem CID:	77109181
Reduced:	BrFO2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	248.096106
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	7.82
IP(EA), eV:	-8.35(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=C2C=C(C(=O)C(=C2)Br)OC)N=C(C1F)N

DOS

IR

Vibrations