Geometry & MOs

Info

ID:	11396
PubChem CID:	114999
Reduced:	O7C28H36 (1)
Stoich.:	A7B28C36 (1)
Weight, g/mol:	484.246104
ΔH_f, kcal/mol:	-281.89
Dipole, Da:	6.15
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC

DOS

IR

Vibrations