Geometry & MOs

Info

ID:	218338
PubChem CID:	85089200
Reduced:	O7C25H38 (1)
Stoich.:	A7B25C38 (1)
Weight, g/mol:	450.240624
ΔH_f, kcal/mol:	-290.7
Dipole, Da:	0.86
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(1,3-benzodioxol-5-yl)dodeca-7,9-dien-2-yl 2-methoxy-2-phenylacetate

Drug info:

PubChemData

Smile

C1COCCOC2=C(C=C(C=C2)C=CCCCCCCCCC(=O)O)OCCOCCO1

DOS

IR

Vibrations