Geometry & MOs

Info

ID:	332739
PubChem CID:	127251049
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	1.59
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC1=NC=C(C=N1)CN2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations