Geometry & MOs

Info

ID:	28474
PubChem CID:	827816
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.91
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O

DOS

IR

Vibrations