Geometry & MOs

Info

ID:	49363
PubChem CID:	11532917
Reduced:	ClF4N4H15C21 (1)
Stoich.:	AB4C4D15E21 (1)
Weight, g/mol:	470.138865
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	6.78
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperidin-4-yl]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=NN(C2=CC(=NC(=C12)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations