Geometry & MOs

Info

ID:	53075
PubChem CID:	14709522
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	450.320606
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	2.87
IP(EA), eV:	-8.44(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17,20,25,28-tetraoxa-1,4,11,14-tetrazatricyclo[12.8.8.26,9]dotriaconta-6,8,31-triene

Drug info:

PubChemData

Smile

C1CN2CCOCCN(CCNCC3=CC=C(CN1)C=C3)CCOCC2

DOS

IR

Vibrations