Geometry & MOs

Info

ID:	139172
PubChem CID:	52485049
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	443.188329
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	9.05
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=O)CNC3=CC=C(C=C3)C

DOS

IR

Vibrations