Geometry & MOs

Info

ID:	414969
PubChem CID:	135087949
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	506.227768
ΔH_f, kcal/mol:	58.17
Dipole, Da:	5.59
IP(EA), eV:	-8.8(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-24-methyl-8,16-dioxa-1,11,12,13,21,24-hexazapentacyclo[24.3.1.13,7.110,13.017,22]dotriaconta-3(32),4,6,10(31),11,17(22),18,20-octaene-2,23-dione

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)CC3=CN=CN3

DOS

IR

Vibrations