Geometry & MOs

Info

ID:	323221
PubChem CID:	126673710
Reduced:	OCl2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	272.058578
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	5.01
IP(EA), eV:	-9.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-8,10-dione

Drug info:

PubChemData

Smile

CCCN1CCCC(C1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl

DOS

IR

Vibrations