Geometry & MOs

Info

ID:	195802
PubChem CID:	78732544
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	4.6
IP(EA), eV:	-7.94(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations