Geometry & MOs

Info

ID:	151832
PubChem CID:	56310645
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	10.05
IP(EA), eV:	-9.34(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations