Geometry & MOs

Info

ID:	275727
PubChem CID:	103817287
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	268.01856
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	4.48
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C2=CN=C(C=N2)Cl)C

DOS

IR

Vibrations