Geometry & MOs

Info

ID:	213254
PubChem CID:	81063270
Reduced:	NOSC14H29 (1)
Stoich.:	ABCD14E29 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	2.61
IP(EA), eV:	-8.65(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1(CCCCC1)CS

DOS

IR

Vibrations