Geometry & MOs

Info

ID:	435557
PubChem CID:	135191800
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	402.126737
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	3.46
IP(EA), eV:	-10.3(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]-3-methylphenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(=O)C2CCC(CC2)O

DOS

IR

Vibrations