Geometry & MOs

Info

ID:	150191
PubChem CID:	53789878
Reduced:	NO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	4.05
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-(2-hydroxyethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations