Geometry & MOs

Info

ID:	143339
PubChem CID:	53194225
Reduced:	S2F3N3O3C17H24 (1)
Stoich.:	A2B3C3D3E17F24 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-267.45
Dipole, Da:	5.97
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CCC1(CCN(C1)S(=O)(=O)C)N2CCN(CC2)C(=O)C3=CC=C(S3)C(F)(F)F

DOS

IR

Vibrations