Geometry & MOs

Info

ID:	421813
PubChem CID:	135116654
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	4.72
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-chloro-2-methylquinolin-4-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CN(CCOC)CC(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations