Geometry & MOs

Info

ID:	312545
PubChem CID:	126606396
Reduced:	O4F5H11C19 (1)
Stoich.:	A4B5C11D19 (1)
Weight, g/mol:	518.303224
ΔH_f, kcal/mol:	-360.59
Dipole, Da:	6.12
IP(EA), eV:	-9.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dimethyl-8-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxyoctyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3C(C(F)(F)F)(F)F

DOS

IR

Vibrations