Geometry & MOs

Info

ID:	353202
PubChem CID:	127284382
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	396.14337
ΔH_f, kcal/mol:	-156.52
Dipole, Da:	5.42
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations