Geometry & MOs

Info

ID:	159717
PubChem CID:	57288662
Reduced:	O2C12H19 (2)
Stoich.:	A2B12C19 (2)
Weight, g/mol:	300.03611
ΔH_f, kcal/mol:	-210.05
Dipole, Da:	7.55
IP(EA), eV:	-9.95(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-5-methoxyphenyl)hexanoic acid

Drug info:

PubChemData

Smile

CC1[C@H]2[C@@H]([C@H](CC[C@]2(C1=CCCC(=O)O)C)O)C=CC(CC3CCCCC3)O

DOS

IR

Vibrations