Geometry & MOs

Info

ID:	57816
PubChem CID:	24277540
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	3.97
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-amino-5-methyl-1,3-thiazol-4-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

Drug info:

PubChemData

Smile

CCN1C(=O)CCC2=C1C=CC(=C2)C(=O)O

DOS

IR

Vibrations