Geometry & MOs

Info

ID:	353253
PubChem CID:	127284433
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	396.14337
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	7.03
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations