Geometry & MOs

Info

ID:	197178
PubChem CID:	78933061
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	3.44
IP(EA), eV:	-9.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)Cl)OC(C)C(=O)O)N

DOS

IR

Vibrations