Geometry & MOs

Info

ID:	293941
PubChem CID:	117418326
Reduced:	ClNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	265.050571
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	2.73
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-(1-isocyanatocyclobutyl)-4-methyl-1,3-benzodioxole

Drug info:

PubChemData

Smile

CNCC(C1=C2C=COC2=C(C3=C1OC=C3)Cl)O

DOS

IR

Vibrations