Geometry & MOs

Info

ID:	392891
PubChem CID:	135018321
Reduced:	PC26H41 (1)
Stoich.:	AB26C41 (1)
Weight, g/mol:	196.060355
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	1.36
IP(EA), eV:	-7.94(2.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-thiophen-2-yl-2,8-dioxa-5-aza-1-boranuidabicyclo[3.3.0]octane

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)C34CC5CC6C3CC7CC6C(C5)C4C7

DOS

IR

Vibrations