Geometry & MOs

Info

ID:	409054
PubChem CID:	135081828
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	550.329439
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	0.12
IP(EA), eV:	-8.24(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-1,2-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)/C(=C/2\C=C(C(=C(C2=O)C)C)OC)/C=C1OC)C

DOS

IR

Vibrations