Geometry & MOs

Info

ID:	89695
PubChem CID:	49963816
Reduced:	OCl2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-7.25
Dipole, Da:	1.84
IP(EA), eV:	-9.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(C2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations