Geometry & MOs

Info

ID:	136395
PubChem CID:	52032439
Reduced:	BrO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	465.217618
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	3.64
IP(EA), eV:	-8.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-morpholin-4-ylquinoxalin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations