Geometry & MOs

Info

ID:	292913
PubChem CID:	117363857
Reduced:	ClO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	244.086622
ΔH_f, kcal/mol:	-130.11
Dipole, Da:	4.92
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2,5-dimethoxy-4-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Cl)CCCO)OC

DOS

IR

Vibrations