Geometry & MOs

Info

ID:	447745
PubChem CID:	135285270
Reduced:	NO2C15H35 (1)
Stoich.:	AB2C15D35 (1)
Weight, g/mol:	478.120796
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	24.59
IP(EA), eV:	-4.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-chloro-3-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

CCCCC(CO)C(CCCC)(CCCC)[NH3+].[OH-]

DOS

IR

Vibrations