Geometry & MOs

Info

ID:	56064
PubChem CID:	17404139
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	10.35
IP(EA), eV:	-8.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations