Geometry & MOs

Info

ID:	295545
PubChem CID:	117533329
Reduced:	BrN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	237.001513
ΔH_f, kcal/mol:	95.53
Dipole, Da:	1.94
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=NN(N=N2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations