Geometry & MOs

Info

ID:	380804
PubChem CID:	134971369
Reduced:	O11C49H54 (1)
Stoich.:	A11B49C54 (1)
Weight, g/mol:	360.117315
ΔH_f, kcal/mol:	-306.32
Dipole, Da:	3.32
IP(EA), eV:	-9.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxy-4,4-difluoro-3-phenylmethoxybuta-1,3-dienyl) benzoate

Drug info:

PubChemData

Smile

COC1C2C(C(C(O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(O2)C5C(C(C(C(O5)OC)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations