Geometry & MOs

Info

ID:	446733
PubChem CID:	135277276
Reduced:	NOH35C52 (1)
Stoich.:	ABC35D52 (1)
Weight, g/mol:	689.271865
ΔH_f, kcal/mol:	188.73
Dipole, Da:	1.02
IP(EA), eV:	-7.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=C(C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations