Geometry & MOs

Info

ID:	332959
PubChem CID:	127251383
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	5.14
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylphenyl)sulfonyl-2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)COCCN3CCCC3=O)C4=CN=CN=C4

DOS

IR

Vibrations