Geometry & MOs

Info

ID:	13390
PubChem CID:	228546
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	7.56
IP(EA), eV:	-9.38(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=C(C(=CC(=O)O)C)C(=O)O)C

DOS

IR

Vibrations