Geometry & MOs

Info

ID:	313333
PubChem CID:	126613878
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	0.84
IP(EA), eV:	-8.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1OCC#C)C(C)(C)C)OC

DOS

IR

Vibrations