Geometry & MOs

Info

ID:	414302
PubChem CID:	135087258
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-119.3
Dipole, Da:	6.04
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations