Geometry & MOs

Info

ID:	405507
PubChem CID:	135074187
Reduced:	BCl2N2C27H37 (1)
Stoich.:	AB2C2D27E37 (1)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	-71.65
Dipole, Da:	7.71
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)cyclobutan-1-one

Drug info:

PubChemData

Smile

[BH-](C1=[N+](C=CN1C2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC=C3C(C)C)C(C)C)(Cl)Cl

DOS

IR

Vibrations