Geometry & MOs

Info

ID:	446441
PubChem CID:	135275006
Reduced:	FON2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	498.217952
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	3.23
IP(EA), eV:	-8.37(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

CCNNCC(C)(/C=C\CCF)OC

DOS

IR

Vibrations