Geometry & MOs

Info

ID:	127511
PubChem CID:	51004450
Reduced:	O2N3Cl6H19C32 (1)
Stoich.:	A2B3C6D19E32 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	63.82
Dipole, Da:	1.76
IP(EA), eV:	-8.95(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7R)-4-ethyl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NC2=CC=C(C=C2)Cl)C3[C@@]4(C(=C([C@@](N3C5=CC=C(C=C5)Cl)(C(=O)C4=O)Cl)Cl)Cl)NC6=CC=C(C=C6)Cl

DOS

IR

Vibrations