Geometry & MOs

Info

ID:	423032
PubChem CID:	135118814
Reduced:	ClN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	3.93
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC=CC=C3Cl)C(=O)O

DOS

IR

Vibrations