Geometry & MOs

Info

ID:	287360
PubChem CID:	104239176
Reduced:	ClO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	4.05
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[(6-methoxypyridin-2-yl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC(COC)O)Cl)O

DOS

IR

Vibrations