Geometry & MOs

Info

ID:	399397
PubChem CID:	135040085
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	274.084124
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	3.03
IP(EA), eV:	-9.5(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C[C@@]12CCC=C1[C@@](C(=O)CC2)(C)CCC=C

DOS

IR

Vibrations