Geometry & MOs

Info

ID:	443817
PubChem CID:	135260074
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	332.127326
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	5.73
IP(EA), eV:	-9.85(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)CN)O

DOS

IR

Vibrations