Geometry & MOs

Info

ID:	417854
PubChem CID:	135102913
Reduced:	ON6C17H30 (1)
Stoich.:	AB6C17D30 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	8.72
IP(EA), eV:	-9.08(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8R,9S,10R)-22-oxa-4,12,17,18,19-pentazahexacyclo[21.2.2.19,12.116,19.04,8.05,10]nonacosa-1(26),16(28),17,23(27),24-pentaene-3,13-dione

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)N2CCCN(CC2)CCN3C=NN=C3

DOS

IR

Vibrations