Geometry & MOs

Info

ID:	216619
PubChem CID:	85086509
Reduced:	N2O5C13H22 (1)
Stoich.:	A2B5C13D22 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-185.74
Dipole, Da:	2.88
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C=C(C(=O)OC)C(=O)OC)C=NNCCCO

DOS

IR

Vibrations