Geometry & MOs

Info

ID:	313286
PubChem CID:	126613464
Reduced:	NC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	483.203031
ΔH_f, kcal/mol:	-13.94
Dipole, Da:	3.23
IP(EA), eV:	-8.89(2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[(1S,3R,4S)-4-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]-3-hydroxycyclohexyl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CNC[C@H]1CC[C@@H](C1)NC

DOS

IR

Vibrations