Geometry & MOs

Info

ID:	142637
PubChem CID:	53070053
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	493.224453
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	3.31
IP(EA), eV:	-8.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-ethylquinoxalin-2-one

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations