Geometry & MOs

Info

ID:	311102
PubChem CID:	126589429
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	2.36
IP(EA), eV:	-8.94(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(2-methyl-6-methylidene-1H-pyridin-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCCC(C)(CC)C1CC(=C)N(C1=O)C

DOS

IR

Vibrations