Geometry & MOs

Info

ID:	372587
PubChem CID:	131300327
Reduced:	ION2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	253.995756
ΔH_f, kcal/mol:	17.69
Dipole, Da:	5.36
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-2-hydroxy-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)I

DOS

IR

Vibrations