Geometry & MOs

Info

ID:	53591
PubChem CID:	14716836
Reduced:	O5C34H40 (1)
Stoich.:	A5B34C40 (1)
Weight, g/mol:	612.381475
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	2.65
IP(EA), eV:	-8.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-octan-2-yloxyphenyl) 7-dodecoxy-9-oxofluorene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)OCC(C)CC

DOS

IR

Vibrations