Geometry & MOs

Info

ID:	415287
PubChem CID:	135088279
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	3.33
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,12-dioxa-5,15,16,17,23-pentazapentacyclo[21.2.2.28,11.11,4.115,18]hentriaconta-8,10,16,18(28),29-pentaene-6,22-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CCC(C4)CN

DOS

IR

Vibrations