Geometry & MOs

Info

ID:	188971
PubChem CID:	77795861
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	558.193748
ΔH_f, kcal/mol:	-208.86
Dipole, Da:	2.24
IP(EA), eV:	-9.98(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[1-(1-ethoxycarbonylpiperidin-4-yl)-2-oxopyrrolidin-3-ylidene]methyl]-2-oxo-1,4-diazatricyclo[4.3.1.03,10]dec-8-ene-9-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CCNC(=O)C1CCNC(=O)C1

DOS

IR

Vibrations