Geometry & MOs

Info

ID:	217154
PubChem CID:	85087345
Reduced:	N3O6C15H19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-215.79
Dipole, Da:	3.61
IP(EA), eV:	-9.85(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-7-amine

Drug info:

PubChemData

Smile

COC(CNC(=O)C(=CNC(=O)C1=CN=CC=C1)C(=O)OC)OC

DOS

IR

Vibrations