Geometry & MOs

Info

ID:	255758
PubChem CID:	103134568
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	300.076451
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	5.31
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2C)Br)C(=O)O

DOS

IR

Vibrations