Geometry & MOs

Info

ID:	331876
PubChem CID:	127250162
Reduced:	ClON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	378.18559
ΔH_f, kcal/mol:	47.39
Dipole, Da:	3.98
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethylpyrimidin-2-yl)-2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CC=N2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations