Geometry & MOs

Info

ID:	127755
PubChem CID:	51013916
Reduced:	Cl2N3O3C35H37 (1)
Stoich.:	A2B3C3D35E37 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-52.34
Dipole, Da:	5.05
IP(EA), eV:	-9.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7S)-1,4,4,11-tetramethyltricyclo[5.2.2.02,6]undec-10-ene-3,8-dione

Drug info:

PubChemData

Smile

CC(=O)N1C[C@H]2CC(=C([C@H](C1)N2)C(=O)N(CC3=CC=CC=C3Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=CC=CC=C6Cl

DOS

IR

Vibrations