Geometry & MOs

Info

ID:	264695
PubChem CID:	103483314
Reduced:	BrFN3O3C9H9 (1)
Stoich.:	ABC3D3E9F9 (1)
Weight, g/mol:	337.0226
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	3.6
IP(EA), eV:	-9.96(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-2-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)F)OCCC(=N)N)[N+](=O)[O-]

DOS

IR

Vibrations