Geometry & MOs

Info

ID:	347304
PubChem CID:	127272098
Reduced:	SO2N4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	3.98
IP(EA), eV:	-8.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN2CCC(CC2)CN3CC(OC(C3)C)C

DOS

IR

Vibrations