Geometry & MOs

Info

ID:	427616
PubChem CID:	135160671
Reduced:	BrH5F10C19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	690.278347
ΔH_f, kcal/mol:	-373.06
Dipole, Da:	2.41
IP(EA), eV:	-10.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-[(3Z,5Z)-5-phenylhepta-1,3,5-trien-4-yl]pyrido[4,3-b]indol-5-yl]-5-[2-(3-phenylphenyl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C2=C(C(=C(C(=C2F)F)F)F)F)Br)C3=C(C(=C(C(=C3F)F)F)F)CF

DOS

IR

Vibrations