Geometry & MOs

Info

ID:	25962
PubChem CID:	634973
Reduced:	PO3F6H11C20 (1)
Stoich.:	AB3C6D11E20 (1)
Weight, g/mol:	444.200885
ΔH_f, kcal/mol:	-325.93
Dipole, Da:	4.75
IP(EA), eV:	-9.0(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene

Drug info:

PubChemData

Smile

COC1=C(C(=C2C3=C(C(=C(C(=C3P(=O)(C2=C1F)C4=CC=CC=C4)F)OC)F)F)F)F

DOS

IR

Vibrations