Geometry & MOs

Info

ID:	416961
PubChem CID:	135090915
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	3.97
IP(EA), eV:	-9.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[1-(2-methylphenyl)piperidin-4-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1COCC2=C1NN=C2C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations