Geometry & MOs

Info

ID:	414277
PubChem CID:	135087233
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	2.87
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations