Geometry & MOs

Info

ID:	332911
PubChem CID:	127251335
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-68.97
Dipole, Da:	8.04
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=C(OC4=C3CCCC4)C)NC5=NC=C(C=C5)F

DOS

IR

Vibrations