Geometry & MOs

Info

ID:	418142
PubChem CID:	135103654
Reduced:	ClN2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-196.15
Dipole, Da:	8.76
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenoxy)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C(=O)OC1)CCNC(=O)CC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations