Geometry & MOs

Info

ID:	151070
PubChem CID:	53790767
Reduced:	F3N3O8C31H36 (1)
Stoich.:	A3B3C8D31E36 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-367.26
Dipole, Da:	7.35
IP(EA), eV:	-8.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-aminobutanoyl)-3,3a,9,10-tetrahydro-2H-thieno[3,2-d]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(C(=N1)C(F)(F)F)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCC3=CC=C(C=C3)OCC(CNC(C)C)O

DOS

IR

Vibrations