Geometry & MOs

Info

ID:	414724
PubChem CID:	135087685
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	457.232519
ΔH_f, kcal/mol:	10.64
Dipole, Da:	2.18
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-9,25-dioxa-1,13,14,15,21-pentazatetracyclo[22.3.1.113,16.03,8]nonacosa-3(8),4,6,14,16(29)-pentaene-2,20-dione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(NN=C3)C4=CC=CC=C4)CO

DOS

IR

Vibrations