Geometry & MOs

Info

ID:	148741
PubChem CID:	53788410
Reduced:	BrOF4H5C10 (1)
Stoich.:	ABC4D5E10 (1)
Weight, g/mol:	183.064391
ΔH_f, kcal/mol:	-202.13
Dipole, Da:	3.14
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CC(=C2)F)Br)OC1C(F)(F)F

DOS

IR

Vibrations