Geometry & MOs

Info

ID:	332914
PubChem CID:	127251338
Reduced:	ClFON4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	438.186732
ΔH_f, kcal/mol:	-32.24
Dipole, Da:	8.76
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenoxy)-1-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCC3=CC(=CC=C3)Cl)NC4=NC=C(C=C4)F

DOS

IR

Vibrations