Geometry & MOs

Info

ID:	332903
PubChem CID:	127251327
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	444.207388
ΔH_f, kcal/mol:	-2.12
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-0.91)
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]-3-indazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCC3=CC=CC=C3OC)NC4=NC=CC=N4

DOS

IR

Vibrations