Geometry & MOs

Info

ID:	158462
PubChem CID:	56463705
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	50.84
Dipole, Da:	3.92
IP(EA), eV:	-8.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

DOS

IR

Vibrations