Geometry & MOs

Info

ID:	395966
PubChem CID:	135027036
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	4.04
IP(EA), eV:	-9.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-methoxyquinolin-2-yl)-1-thiophen-2-ylethyl]propanedinitrile

Drug info:

PubChemData

Smile

C/C/1=C/C(=O)NC2=CC=CC=C2C(O1)OC(=O)C

DOS

IR

Vibrations