Geometry & MOs

Info

ID:	420368
PubChem CID:	135112759
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	326.119734
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	1.55
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CNC(=O)CN2CCCC(C2)C#N

DOS

IR

Vibrations