Geometry & MOs

Info

ID:	332895
PubChem CID:	127251319
Reduced:	FO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	328.169939
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	5.82
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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)COC3=CC=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations