Geometry & MOs

Info

ID:	209564
PubChem CID:	80688176
Reduced:	ClOSN3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	274.054277
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	7.26
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)C2=NC(=C(S2)C=O)Cl

DOS

IR

Vibrations