Geometry & MOs

Info

ID:	233325
PubChem CID:	89650026
Reduced:	BrFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	3.34
IP(EA), eV:	-9.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-oxohexyl]carbamic acid

Drug info:

PubChemData

Smile

C1C[C@@H]([C@]2(CN=C(O2)C3=CC=C(C=C3)Br)OC1)F

DOS

IR

Vibrations