Geometry & MOs

Info

ID:	316054
PubChem CID:	126629823
Reduced:	NO3H31C45 (1)
Stoich.:	AB3C31D45 (1)
Weight, g/mol:	686.236956
ΔH_f, kcal/mol:	80.15
Dipole, Da:	1.45
IP(EA), eV:	-7.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C(=CC=C5)OC7=CC=CC=C7O6)C8=CC9=C(C=C8)C1=CC=CC=C1O9)C

DOS

IR

Vibrations