Geometry & MOs

Info

ID:	127752
PubChem CID:	51013730
Reduced:	ClO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-119.38
Dipole, Da:	2.55
IP(EA), eV:	-9.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,6R)-2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@]1([C@@H]2CC[C@](C1=O)(CC2C(=O)Cl)C)C)C

DOS

IR

Vibrations