Geometry & MOs

Info

ID:	219643
PubChem CID:	85164231
Reduced:	NO2C37H41 (1)
Stoich.:	AB2C37D41 (1)
Weight, g/mol:	531.274191
ΔH_f, kcal/mol:	3.54
Dipole, Da:	2.27
IP(EA), eV:	-8.49(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[5-(1-hexadecylpyridin-4-ylidene)thiophen-2-ylidene]thiophen-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3)OCC4CCC5=CC=CC=C5C4

DOS

IR

Vibrations