Geometry & MOs

Info

ID:	43853
PubChem CID:	10321888
Reduced:	ClFO2N5C23H25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	422.199228
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	4.34
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=C(C=C(C=C4)F)[N+]#N.[Cl-]

DOS

IR

Vibrations