Geometry & MOs

Info

ID:	332737
PubChem CID:	127251047
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	42.68
Dipole, Da:	3.52
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-fluorophenyl)pyrazin-2-yl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN=CC(=N2)C3CN(CCO3)CC4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations