Geometry & MOs

Info

ID:	293660
PubChem CID:	117395268
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-144.27
Dipole, Da:	7.4
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)CCCC(=O)O)Cl)C

DOS

IR

Vibrations