Geometry & MOs

Info

ID:	293096
PubChem CID:	117373769
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-97.82
Dipole, Da:	0.88
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCOCC2)C3(CC3)O

DOS

IR

Vibrations