Geometry & MOs

Info

ID:	38464
PubChem CID:	8106625
Reduced:	ClON3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	4.0
Dipole, Da:	3.44
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations