Geometry & MOs

Info

ID:	297304
PubChem CID:	117614785
Reduced:	F5H7C13 (1)
Stoich.:	A5B7C13 (1)
Weight, g/mol:	430.215747
ΔH_f, kcal/mol:	-209.74
Dipole, Da:	4.37
IP(EA), eV:	-10.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3,5-tricarbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=C(C=CC=C2F)F

DOS

IR

Vibrations