Geometry & MOs

Info

ID:	284542
PubChem CID:	104051644
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	6.44
IP(EA), eV:	-9.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)CCCC(=O)O)C)Br

DOS

IR

Vibrations