Geometry & MOs

Info

ID:	372009
PubChem CID:	131286080
Reduced:	ClN2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	223.077933
ΔH_f, kcal/mol:	17.02
Dipole, Da:	4.76
IP(EA), eV:	-9.96(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-1,3-thiazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CN=NC(=O)C2C=O

DOS

IR

Vibrations