Geometry & MOs

Info

ID:	213394
PubChem CID:	81063600
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-129.12
Dipole, Da:	5.11
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NNC(=O)C2=CC=CC=C21

DOS

IR

Vibrations