Geometry & MOs

Info

ID:	333111
PubChem CID:	127251659
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-50.46
Dipole, Da:	6.11
IP(EA), eV:	-8.4(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=CC(=NC(=C2)C)C3CN(CCO3)C(=O)C4CCN(CC4)C(C)C

DOS

IR

Vibrations