Geometry & MOs

Info

ID:	284543
PubChem CID:	104051647
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	393.92383
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	2.55
IP(EA), eV:	-9.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations