Geometry & MOs

Info

ID:	287359
PubChem CID:	104239164
Reduced:	ClNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	260.081537
ΔH_f, kcal/mol:	-140.21
Dipole, Da:	2.83
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)OC1=C(C=C(C=C1)[C@H](C)O)Cl

DOS

IR

Vibrations