Geometry & MOs

Info

ID:	143523
PubChem CID:	53220922
Reduced:	ClO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	292.050237
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	1.29
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-4-(4-hydroxy-3-methoxyphenyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)O)C2=C(C=CC(=C2)O)Cl

DOS

IR

Vibrations