Geometry & MOs

Info

ID:	178449
PubChem CID:	76331311
Reduced:	NOSC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	358.219118
ΔH_f, kcal/mol:	19.31
Dipole, Da:	4.86
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=S)NC1=O)OCC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations