Geometry & MOs

Info

ID:	331656
PubChem CID:	127249739
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	393.160103
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	3.24
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[6-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

COCCC(=O)N1CCOC(C1)C2=NC(=CC=C2)NC3=NC=CC=N3

DOS

IR

Vibrations