Geometry & MOs

Info

ID:	359798
PubChem CID:	127299842
Reduced:	SN5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	81.92
Dipole, Da:	1.69
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C3=NC(=NC(=C3)C)C4=CC=CC=N4

DOS

IR

Vibrations