Geometry & MOs

Info

ID:	149794
PubChem CID:	53789471
Reduced:	NO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	174.042927
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	3.71
IP(EA), eV:	-10.51(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,12-dioxa-8,13-diazatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

CCC1C(CNC1=O)C(=O)O

DOS

IR

Vibrations