Geometry & MOs

Info

ID:	332171
PubChem CID:	127250457
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	2.97
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=C2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations