Geometry & MOs

Info

ID:	441701
PubChem CID:	135241242
Reduced:	O2N9H21C22 (1)
Stoich.:	A2B9C21D22 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	87.92
Dipole, Da:	9.25
IP(EA), eV:	-8.73(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-(hydroxymethyl)pyridin-2-yl]cyclobutyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C#N)C(=N2)C4=CN=C(C=C4)N5CCCC(C5)NC(=O)O

DOS

IR

Vibrations