Geometry & MOs

Info

ID:	316042
PubChem CID:	126629738
Reduced:	NO2H35C53 (1)
Stoich.:	AB2C35D53 (1)
Weight, g/mol:	610.205656
ΔH_f, kcal/mol:	167.78
Dipole, Da:	0.54
IP(EA), eV:	-7.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C(C=C8)OC1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations