Geometry & MOs

Info

ID:	46661
PubChem CID:	10526056
Reduced:	O2H9C14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	418.059841
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	4.15
IP(EA), eV:	-8.15(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[7-[(E)-2-cyano-2-thiophen-2-ylethenyl]biphenylen-2-yl]-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C2C=CC3=C(C2=C(C=C1)OC)C4=C(C=CC5=C4C(=O)C=CC5=O)C6=CC=CC=C36

DOS

IR

Vibrations