Geometry & MOs

Info

ID:	331711
PubChem CID:	127249794
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	5.65
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-4-methylphenoxy)-1-[2-[6-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CCN4C(=CC(=NC4=O)C)C

DOS

IR

Vibrations