Geometry & MOs

Info

ID:	83063
PubChem CID:	49857083
Reduced:	P4N10O15C22H32 (1)
Stoich.:	A4B10C15D22E32 (1)
Weight, g/mol:	243.053158
ΔH_f, kcal/mol:	-759.1
Dipole, Da:	6.7
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-nitrodibenzofuran

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(CP(=O)(O)OP(=O)(CP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O

DOS

IR

Vibrations