Geometry & MOs

Info

ID:	295013
PubChem CID:	117511672
Reduced:	BrO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	330.01029
ΔH_f, kcal/mol:	-173.88
Dipole, Da:	5.57
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations