Geometry & MOs

Info

ID:	48944
PubChem CID:	11528504
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-54.88
Dipole, Da:	0.76
IP(EA), eV:	-9.11(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (2R,3R,4R)-5-oxotricyclo[2.2.1.02,6]heptane-3-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC[C@@H](N1O)C

DOS

IR

Vibrations