Geometry & MOs

Info

ID:	54741
PubChem CID:	17389185
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	336.039105
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	1.98
IP(EA), eV:	-9.43(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(5Z)-5-[(5Z)-5-(nitrosomethylidene)thiophen-2-ylidene]thiophen-2-ylidene]-1H-quinoline

Drug info:

PubChemData

Smile

C=CCO[C@@H]1[C@H]2CO[C@H](O2)[C@@H]([C@H]1OCC3=CC=CC=C3)O

DOS

IR

Vibrations