Geometry & MOs

Info

ID:	136399
PubChem CID:	52033372
Reduced:	N2O2C15H20 (2)
Stoich.:	A2B2C15D20 (2)
Weight, g/mol:	503.28964
ΔH_f, kcal/mol:	-137.77
Dipole, Da:	2.83
IP(EA), eV:	-8.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C3=CC=CC=C3N=C(C2=O)N4C[C@@H](C[C@@H](C4)C)C)OCC

DOS

IR

Vibrations