Geometry & MOs

Info

ID:	408815
PubChem CID:	135081584
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	4.38
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,6S,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

C1=CC=C(C=C1)/C=C/C=C/C[C@@H]2[C@@H]3C=CC=C[C@@H]3[C@H]2CC(=O)O

DOS

IR

Vibrations