Geometry & MOs

Info

ID:	342363
PubChem CID:	127265186
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	25.55
Dipole, Da:	1.62
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-cyclopropylbut-2-enoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)NNC2=CC=CC=N2

DOS

IR

Vibrations