Geometry & MOs

Info

ID:	360709
PubChem CID:	127301354
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	9.95
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations