Geometry & MOs

Info

ID:	432768
PubChem CID:	135172905
Reduced:	O2H32C41 (2)
Stoich.:	A2B32C41 (2)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	150.84
Dipole, Da:	4.66
IP(EA), eV:	-8.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-ethenyl-5-methoxycarbonyl-7-oxo-7-propoxyhept-2-enoic acid

Drug info:

Smile

COC1=CC=C(C=C1)C2C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=C(C(=C(C(=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)OC

DOS

IR

Vibrations