Geometry & MOs

Info

ID:	283068
PubChem CID:	103956529
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	4.26
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)C3=CC(=C(C=C3)Br)O

DOS

IR

Vibrations