Geometry & MOs

Info

ID:	327852
PubChem CID:	126691162
Reduced:	O2F3N5H20C23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	680.282764
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	2.38
IP(EA), eV:	-9.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

Drug info:

PubChemData

Smile

CC1(CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC(=C5)C(F)(F)F)C

DOS

IR

Vibrations