Geometry & MOs

Info

ID:	152822
PubChem CID:	56311898
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	4.91
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations