Geometry & MOs

Info

ID:	371850
PubChem CID:	131275377
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	214.039672
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	7.52
IP(EA), eV:	-9.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-2-hydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)OCC1=CC(=C(C=C1)C#N)O

DOS

IR

Vibrations