Geometry & MOs

Info

ID:	197416
PubChem CID:	78965635
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	258.057532
ΔH_f, kcal/mol:	21.46
Dipole, Da:	7.38
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations