Geometry & MOs

Info

ID:	444383
PubChem CID:	135262234
Reduced:	BrNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	369.103479
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	3.37
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-hydroxy-1-methyl-4-phenylmethoxy-8,9-dihydro-7H-thieno[3,2-f]quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCCCOC1=CC2=CC(=CN=C2C=C1)Br)O

DOS

IR

Vibrations