Geometry & MOs

Info

ID:	57819
PubChem CID:	24277559
Reduced:	ClNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	1.33
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-amino-1,3-thiazol-4-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC2=C3C(=C1)CCC(=O)N3CCC2)Cl

DOS

IR

Vibrations