Geometry & MOs

Info

ID:	197905
PubChem CID:	79014393
Reduced:	FOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	3.83
IP(EA), eV:	-9.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-chloro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C(=C(C=C2)F)F)OC1)O

DOS

IR

Vibrations