Geometry & MOs

Info

ID:	294982
PubChem CID:	117510443
Reduced:	BrO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	327.99464
ΔH_f, kcal/mol:	-152.31
Dipole, Da:	6.84
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-formyl-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1C3(CC3)C(=O)O)OCCO2)Br

DOS

IR

Vibrations