Geometry & MOs

Info

ID:	180730
PubChem CID:	76676785
Reduced:	SF3N3O3C25H28 (1)
Stoich.:	AB3C3D3E25F28 (1)
Weight, g/mol:	472.208611
ΔH_f, kcal/mol:	-236.0
Dipole, Da:	3.5
IP(EA), eV:	-8.92(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[2,6-dimethyl-4-[6-(trifluoromethyl)quinoxalin-2-yl]piperazin-1-yl]methyl]-5-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)O)CN2CCN(C(C2)C(C)C)C3=NC4=C(S3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations