Geometry & MOs

Info

ID:	422420
PubChem CID:	135117806
Reduced:	ClO4N8C33H43 (1)
Stoich.:	AB4C8D33E43 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	4.74
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)CC(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations