Geometry & MOs

Info

ID:	331694
PubChem CID:	127249777
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	5.19
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C(N=C(O4)C)C

DOS

IR

Vibrations