Geometry & MOs

Info

ID:	294723
PubChem CID:	117486028
Reduced:	BrFO2N3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	300.98622
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	6.34
IP(EA), eV:	-8.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-1H-pyrazol-5-yl)-5-bromo-4-fluoro-2-methoxyphenol

Drug info:

PubChemData

Smile

COC1=CC(=C(/C(=C\2/C=C(NN2)N)/C1=O)F)Br

DOS

IR

Vibrations