Geometry & MOs

Info

ID:	48282
PubChem CID:	10538612
Reduced:	OH5F7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	249.03644
ΔH_f, kcal/mol:	-372.67
Dipole, Da:	2.64
IP(EA), eV:	-11.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-(3-hydroxypropyl)azepan-2-one

Drug info:

PubChemData

Smile

C1=C[C@@H]2[C@]([C@@H]([C@H]1O2)C(F)(F)F)(C(F)(F)F)F

DOS

IR

Vibrations