Geometry & MOs

Info

ID:	159243
PubChem CID:	57266400
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	3.33
IP(EA), eV:	-9.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1R,2S,3R,4S)-3-[(2-oxopiperidin-1-yl)iminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CCCC2C1CCC[C@H]2NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations