Geometry & MOs

Info

ID:	331713
PubChem CID:	127249796
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	408.171002
ΔH_f, kcal/mol:	21.13
Dipole, Da:	4.12
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations