Geometry & MOs

Info

ID:	327744
PubChem CID:	126690948
Reduced:	NF3O8H24C25 (1)
Stoich.:	AB3C8D24E25 (1)
Weight, g/mol:	730.298414
ΔH_f, kcal/mol:	-419.53
Dipole, Da:	2.98
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

Drug info:

PubChemData

Smile

CC(=O)C(C(F)(F)F)OC(=O)N1CCC(CC1)C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations