Geometry & MOs

Info

ID:	153235
PubChem CID:	56312398
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	3.98
IP(EA), eV:	-8.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCOC3=CC=CC=C3OC

DOS

IR

Vibrations