Geometry & MOs

Info

ID:	394000
PubChem CID:	135022146
Reduced:	NSO6C13H25 (1)
Stoich.:	ABC6D13E25 (1)
Weight, g/mol:	346.146999
ΔH_f, kcal/mol:	-309.54
Dipole, Da:	5.74
IP(EA), eV:	-10.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-quinolin-3-ylhepta-1,6-diynyl)quinoline

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COS(=O)(=O)C

DOS

IR

Vibrations