Geometry & MOs

Info

ID:	446749
PubChem CID:	135277404
Reduced:	NO2H39C57 (1)
Stoich.:	AB2C39D57 (1)
Weight, g/mol:	653.235479
ΔH_f, kcal/mol:	160.91
Dipole, Da:	1.82
IP(EA), eV:	-7.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-dibenzofuran-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=C(C=C8)C9=C(C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1)C

DOS

IR

Vibrations