Geometry & MOs

Info

ID:	386993
PubChem CID:	134983635
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	382.267925
ΔH_f, kcal/mol:	-164.97
Dipole, Da:	1.45
IP(EA), eV:	-10.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dimethyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]tetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-one

Drug info:

PubChemData

Smile

CC(/C=C\CCCCOC(=O)C)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations