Geometry & MOs

Info

ID:	295137
PubChem CID:	117518311
Reduced:	BrO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	352.06741
ΔH_f, kcal/mol:	-105.45
Dipole, Da:	2.61
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=C(C=CC(=C2)Br)OCC3CC3)C(=O)O

DOS

IR

Vibrations