Geometry & MOs

Info

ID:	213763
PubChem CID:	81064913
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	2.77
IP(EA), eV:	-9.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations