Geometry & MOs

Info

ID:	395720
PubChem CID:	135026337
Reduced:	PN5O15C27H44 (1)
Stoich.:	AB5C15D27E44 (1)
Weight, g/mol:	284.023961
ΔH_f, kcal/mol:	-581.29
Dipole, Da:	19.8
IP(EA), eV:	-9.2(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;pyrene-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCC(=O)NCCCCCCO[C@@H]3[C@@H]([C@H]([C@@H]([C@H]([C@@H]3OP(=O)(O)OC[C@@H](CO)O)O)O)O)O

DOS

IR

Vibrations