Geometry & MOs

Info

ID:	158577
PubChem CID:	56464211
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	428.260983
ΔH_f, kcal/mol:	-159.64
Dipole, Da:	4.85
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CCN3CCCC3=O

DOS

IR

Vibrations