Geometry & MOs

Info

ID:	150377
PubChem CID:	53790066
Reduced:	ClNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	137.047678
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	3.33
IP(EA), eV:	-8.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5H-azocine-2,8-dione

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)C(C)C(C)(C)C(=O)O

DOS

IR

Vibrations