Geometry & MOs

Info

ID:	449661
PubChem CID:	135300399
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	79.44
Dipole, Da:	4.56
IP(EA), eV:	-8.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCCSC1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C4=CN=CC=C4

DOS

IR

Vibrations