Geometry & MOs

Info

ID:	332009
PubChem CID:	127250295
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	352.109089
ΔH_f, kcal/mol:	-18.58
Dipole, Da:	5.74
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)pyridin-2-yl]-4-pyrimidin-2-ylmorpholine

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations