Geometry & MOs

Info

ID:	59048
PubChem CID:	24770580
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	4.47
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/COC1=C2C[C@H](C(OC2=C(C(=C1)O)C(=O)C)(C)C)O)/C)C

DOS

IR

Vibrations