Geometry & MOs

Info

ID:	224925
PubChem CID:	85730895
Reduced:	FC14H16 (2)
Stoich.:	AB14C16 (2)
Weight, g/mol:	653.23311
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	2.89
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-pyren-1-yl-4-(4-pyren-1-ylbutanoylamino)pentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C#CC#CC2=C(C(=C(C=C2)CCCCCC)F)F

DOS

IR

Vibrations