Geometry & MOs

Info

ID:	373685
PubChem CID:	131318768
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	4.86
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2(CC2)C#N)O)C(F)F

DOS

IR

Vibrations