Geometry & MOs

Info

ID:	127540
PubChem CID:	51005658
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	236.128668
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	6.16
IP(EA), eV:	-9.71(0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3R,4S)-3-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O

DOS

IR

Vibrations