Geometry & MOs

Info

ID:	359797
PubChem CID:	127299841
Reduced:	SN5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	365.167417
ΔH_f, kcal/mol:	86.57
Dipole, Da:	4.08
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCCC(C3)C4=NC(=CS4)C

DOS

IR

Vibrations