Geometry & MOs

Info

ID:	44330
PubChem CID:	10502786
Reduced:	BrOF4N4H11C16 (1)
Stoich.:	ABC4D4E11F16 (1)
Weight, g/mol:	89.039125
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	4.77
IP(EA), eV:	-10.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)[C@@](CN2C=NC=N2)(C(C3=NC=C(C=C3)Br)(F)F)O

DOS

IR

Vibrations