Geometry & MOs

Info

ID:	294430
PubChem CID:	117460544
Reduced:	BrFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	284.9913
ΔH_f, kcal/mol:	2.6
Dipole, Da:	3.01
IP(EA), eV:	-9.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1H-pyrazol-4-yl)-6-bromo-4-fluoro-3-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C2=NOC(=N2)CN)F

DOS

IR

Vibrations