Geometry & MOs

Info

ID:	177640
PubChem CID:	76207785
Reduced:	ON5C12H23 (1)
Stoich.:	AB5C12D23 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	18.8
Dipole, Da:	2.86
IP(EA), eV:	-8.7(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(cyclobutyloxymethyl)-2-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN(CC)CC(C)C(=NO)N

DOS

IR

Vibrations