Geometry & MOs

Info

ID:	324272
PubChem CID:	126677282
Reduced:	ClNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	206.115424
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	5.22
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC=C2)C(=O)N)O

DOS

IR

Vibrations