Geometry & MOs

Info

ID:	347186
PubChem CID:	127271727
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	6.22
IP(EA), eV:	-9.16(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCC(C3)C(=O)N4CCOCC4

DOS

IR

Vibrations