Geometry & MOs

Info

ID:	229670
PubChem CID:	87568381
Reduced:	O2N5H23C29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	499.356263
ΔH_f, kcal/mol:	84.95
Dipole, Da:	1.85
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-2-[4-(dioctylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2CN3C(C4=CC=CC=C4C3=O)C(=O)NCN5C6=CC=CC=C6N=N5

DOS

IR

Vibrations