Geometry & MOs

Info

ID:	294364
PubChem CID:	117454532
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	4.57
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2(CCCC2)C(=O)O)C)Cl)OC

DOS

IR

Vibrations