Geometry & MOs

Info

ID:	226449
PubChem CID:	87352014
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-137.03
Dipole, Da:	2.66
IP(EA), eV:	-9.24(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[4-(5-hydroxypyridin-2-yl)oxy-3,5-dimethylphenyl]methylidene]butanoic acid

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)NCC(C)O

DOS

IR

Vibrations