Geometry & MOs

Info

ID:	122637
PubChem CID:	50815582
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	3.71
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-4-methylquinoxaline-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C(=O)C2=O)C

DOS

IR

Vibrations