Geometry & MOs

Info

ID:	309903
PubChem CID:	126566295
Reduced:	N3H31C38 (1)
Stoich.:	A3B31C38 (1)
Weight, g/mol:	410.090272
ΔH_f, kcal/mol:	170.87
Dipole, Da:	7.8
IP(EA), eV:	-6.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-6-(2-nitrosophenyl)dibenzo-p-dioxin

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(CC2)NC4=CC=CC=C43)N(C5=C1C6=C(C=C5)NC7=CC=CC=C76)C8=CC=CCC8)C9=CC=CC=C9

DOS

IR

Vibrations