Geometry & MOs

Info

ID:	294657
PubChem CID:	117479582
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	297.00006
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	1.44
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-(isocyanatomethyl)-5-propan-2-yl-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1C2(CC2)C(C)N)Cl)OC)OC

DOS

IR

Vibrations