Geometry & MOs

Info

ID:	408814
PubChem CID:	135081583
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-159.75
Dipole, Da:	3.52
IP(EA), eV:	-10.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,6R,7S,8S)-8-[(2E,4E)-5-phenylpenta-2,4-dienyl]-7-bicyclo[4.2.0]octa-2,4-dienyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C2=CC3[C@@H]4[C@@](C2=CC(=O)O1)(CCC[C@@]4(C(=O)O3)C)C

DOS

IR

Vibrations