Geometry & MOs

Info

ID:	128025
PubChem CID:	51027339
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	9.32
IP(EA), eV:	-9.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations