Geometry & MOs

Info

ID:	294365
PubChem CID:	117454537
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	2.93
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-tert-butyl-5-chloro-2-hydroxyphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)OC)Cl)C2(CC2)CC(=O)O

DOS

IR

Vibrations