Geometry & MOs

Info

ID:	419983
PubChem CID:	135110537
Reduced:	ClFNO2C17H19 (1)
Stoich.:	ABCD2E17F19 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	5.56
IP(EA), eV:	-9.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)OCC1

DOS

IR

Vibrations