Geometry & MOs

Info

ID:	17686
PubChem CID:	512024
Reduced:	BrOF3H3N3C5 (1)
Stoich.:	ABC3D3E3F5 (1)
Weight, g/mol:	256.94116
ΔH_f, kcal/mol:	-151.45
Dipole, Da:	6.51
IP(EA), eV:	-10.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-6-(trifluoromethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1(=C(NC(=NC1=O)N)C(F)(F)F)Br

DOS

IR

Vibrations