Geometry & MOs

Info

ID:	434235
PubChem CID:	135174468
Reduced:	O2N4C28H43 (2)
Stoich.:	A2B4C28D43 (2)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-211.02
Dipole, Da:	5.56
IP(EA), eV:	-8.3(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yloxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C1CCCCC1)C(=O)N2CCC[C@H]2CN(CCCCN(C[C@@H]3CCCN3C(=O)C(C4CCCCC4)NC(=O)[C@H](C)NC)C5CCC6=CC=CC=C56)C7CCC8=CC=CC=C78)NC

DOS

IR

Vibrations