Geometry & MOs

Info

ID:	46578
PubChem CID:	10525333
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	4.98
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-[(E)-2-(4-nitrophenyl)ethenyl]thiophene

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[C@H]2[C@H]([C@@H]2[C@H](C#N)N[C@H](CO)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations