Geometry & MOs

Info

ID:	294835
PubChem CID:	117499053
Reduced:	BrFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	312.98622
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	4.08
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=C3C(=C2Br)OCO3)F)N

DOS

IR

Vibrations