Geometry & MOs

Info

ID:	165572
PubChem CID:	74568308
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	353.197751
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	3.5
IP(EA), eV:	-8.76(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC(=O)C=CC(=O)O

DOS

IR

Vibrations