Geometry & MOs

Info

ID:	8179
PubChem CID:	75233
Reduced:	BrON3C4H4 (1)
Stoich.:	ABC3D4E4 (1)
Weight, g/mol:	188.95377
ΔH_f, kcal/mol:	-14.14
Dipole, Da:	7.04
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-bromo-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=NC(=O)NC(=C1Br)N

DOS

IR

Vibrations