Geometry & MOs

Info

ID:	442561
PubChem CID:	135253002
Reduced:	FON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	5.66
IP(EA), eV:	-8.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylpiperazin-1-yl)-quinoxalin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)F)C(=O)NC3=CC=C(C=C3)C(C)C)C

DOS

IR

Vibrations