Geometry & MOs

Info

ID:	322778
PubChem CID:	126671083
Reduced:	FOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	439.165582
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	0.9
IP(EA), eV:	-9.85(1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-formylquinoxalin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@H]([C@@H]1C)OC)F

DOS

IR

Vibrations