Geometry & MOs

Info

ID:	33579
PubChem CID:	7887063
Reduced:	O2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	3.41
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations