Geometry & MOs

Info

ID:	225419
PubChem CID:	85756830
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	264.060235
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	8.71
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9,12-trioxa-3,7-diazacyclotetradecane-2,8-dithione

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CC(=O)O2)OCCCCC#N

DOS

IR

Vibrations