Geometry & MOs

Info

ID:	332909
PubChem CID:	127251333
Reduced:	FON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	3.87
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=NNC4=C3CCCCC4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations