Geometry & MOs

Info

ID:	218178
PubChem CID:	85088996
Reduced:	O5C26H44 (1)
Stoich.:	A5B26C44 (1)
Weight, g/mol:	436.297745
ΔH_f, kcal/mol:	-262.56
Dipole, Da:	3.42
IP(EA), eV:	-8.7(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[7-(cyclohexylmethyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)OCC(C(COC(C)(C)C)OC(C1CCCCC1)C2=CC(=CC=C2)OC)O

DOS

IR

Vibrations