Geometry & MOs

Info

ID:	316040
PubChem CID:	126629736
Reduced:	NOH13C20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	527.188529
ΔH_f, kcal/mol:	123.85
Dipole, Da:	1.34
IP(EA), eV:	-7.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenanthren-2-yl-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)OC6=CC=CC=C6O5)C7=CC=CC8=CC=CC=C87)C9=CC=CC=C92

DOS

IR

Vibrations