Geometry & MOs

Info

ID:	404162
PubChem CID:	135065244
Reduced:	ClN2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	215.071306
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	3.75
IP(EA), eV:	-10.24(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5S)-3-chloro-6-oxo-2-bicyclo[3.2.1]octanyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1(C(CCCC1Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations