Geometry & MOs

Info

ID:	436283
PubChem CID:	135197350
Reduced:	ClFN5O9H25C27 (1)
Stoich.:	ABC5D9E25F27 (1)
Weight, g/mol:	530.272199
ΔH_f, kcal/mol:	-314.82
Dipole, Da:	1.87
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-3-[(E)-2-[3-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-5-methylphenyl]ethenyl]carbazole

Drug info:

PubChemData

Smile

CO[C@H](COC(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)(C(=O)O)C(=O)O)[C@H](C(N3C=NC4=C(N=C(N=C43)Cl)N)F)O

DOS

IR

Vibrations