Geometry & MOs

Info

ID:	180687
PubChem CID:	76668995
Reduced:	ON2F6H12C14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	462.106382
ΔH_f, kcal/mol:	-294.85
Dipole, Da:	5.64
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(2,4-dichlorophenyl)imidazol-2-ylidene]-1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-2H-imidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C(C=C(C=C1)N2CCCC2C(C(F)(F)F)O)C(F)(F)F

DOS

IR

Vibrations