Geometry & MOs

Info

ID:	172462
PubChem CID:	75512815
Reduced:	BrSN3O4H8C10 (1)
Stoich.:	ABC3D4E8F10 (1)
Weight, g/mol:	285.97532
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	8.57
IP(EA), eV:	-9.87(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-fluoro-3-(methoxymethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)CN2C=C(C(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations