Geometry & MOs

Info

ID:	342901
PubChem CID:	127266064
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	300.98845
ΔH_f, kcal/mol:	32.47
Dipole, Da:	8.63
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1(C2=CC=CC=C2)C(=O)N)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations