Geometry & MOs

Info

ID:	158726
PubChem CID:	56465228
Reduced:	SO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	6.33
IP(EA), eV:	-8.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations