Geometry & MOs

Info

ID:	331695
PubChem CID:	127249778
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	449.166331
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	0.8
IP(EA), eV:	-8.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-3-methyl-1H-indol-2-yl)-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C(C5=C(N4)C=CC(=C5)F)C

DOS

IR

Vibrations