Geometry & MOs

Info

ID:	332343
PubChem CID:	127250629
Reduced:	SO3N6C17H18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-2.84
Dipole, Da:	7.06
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations