Geometry & MOs

Info

ID:	284541
PubChem CID:	104051643
Reduced:	BrO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	5.03
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations