Geometry & MOs

Info

ID:	213803
PubChem CID:	81065036
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-138.88
Dipole, Da:	4.36
IP(EA), eV:	-9.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations