Geometry & MOs

Info

ID:	43852
PubChem CID:	10321887
Reduced:	ClF2O2N5H18C22 (1)
Stoich.:	AB2C2D5E18F22 (1)
Weight, g/mol:	457.168081
ΔH_f, kcal/mol:	-36.64
Dipole, Da:	6.19
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(CN=C2C=CC(=C(N2O)CC(=O)NCC3=CC(=CC=C3)Cl)C#N)(F)F

DOS

IR

Vibrations