Geometry & MOs

Info

ID:	399529
PubChem CID:	135040769
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	231.106673
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	6.23
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2CC(OC(=O)C2)C=C

DOS

IR

Vibrations