Geometry & MOs

Info

ID:	293649
PubChem CID:	117395171
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	4.85
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1CCC=O)Cl)OC)OC

DOS

IR

Vibrations