Geometry & MOs

Info

ID:	18424
PubChem CID:	540790
Reduced:	BO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	298.101254
ΔH_f, kcal/mol:	-219.38
Dipole, Da:	3.52
IP(EA), eV:	-10.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-acetyl-11-ethyl-14-methyl-10,12,15-trioxa-11-boratetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraen-8-one

Drug info:

PubChemData

Smile

B1(OC23C4=CC=CC=C4C(=O)C2(O1)OC(=C3C(=O)C)C)CC

DOS

IR

Vibrations