Geometry & MOs

Info

ID:	435414
PubChem CID:	135191397
Reduced:	O3H10C15 (1)
Stoich.:	A3B10C15 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	3.43
IP(EA), eV:	-10.25(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2Z,7E,9Z,11E)-1-ethynyl-6,6,7,12-tetramethyl-4,14-dioxabicyclo[11.2.0]pentadeca-2,7,9,11-tetraen-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C1)C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations