Geometry & MOs

Info

ID:	143248
PubChem CID:	53172718
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	7.32
Dipole, Da:	5.13
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C1C=C(C=C2)C3=NOC(=N3)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations