Geometry & MOs

Info

ID:	277363
PubChem CID:	103828089
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	5.7
IP(EA), eV:	-8.87(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-methylphenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)Br)O

DOS

IR

Vibrations