Geometry & MOs

Info

ID:	128644
PubChem CID:	51053003
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C=CC(=N2)N3CCOCC3

DOS

IR

Vibrations