Geometry & MOs

Info

ID:	331720
PubChem CID:	127249803
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	61.04
Dipole, Da:	2.82
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-1-methylindol-2-yl)-[2-[6-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations