Geometry & MOs

Info

ID:	419979
PubChem CID:	135110487
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	333.185255
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	5.43
IP(EA), eV:	-8.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=C(C=N2)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CC=C5OC)N=C1

DOS

IR

Vibrations