Geometry & MOs

Info

ID:	293661
PubChem CID:	117395282
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C(C)(C)CO)Cl)OCO2

DOS

IR

Vibrations