Geometry & MOs

Info

ID:	1446
PubChem CID:	4462
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	2.91
IP(EA), eV:	-8.65(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C

DOS

IR

Vibrations