Geometry & MOs

Info

ID:	226777
PubChem CID:	87558243
Reduced:	BrNF3O4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	200.123256
ΔH_f, kcal/mol:	-278.66
Dipole, Da:	3.28
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)NC(=O)C(F)(F)F

DOS

IR

Vibrations