Geometry & MOs

Info

ID:	177133
PubChem CID:	76139089
Reduced:	O3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	619.274979
ΔH_f, kcal/mol:	-248.05
Dipole, Da:	4.04
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methyl-4-(4-propan-2-yl-1-propylsulfonylpiperidin-4-yl)piperazine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C(C(C(=O)C(=O)C(C(C(C)C2=CC=CC(=C2C)C)O)O)O)O)C

DOS

IR

Vibrations