Geometry & MOs

Info

ID:	197926
PubChem CID:	79017423
Reduced:	ClFNO3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	280.080097
ΔH_f, kcal/mol:	-169.75
Dipole, Da:	2.27
IP(EA), eV:	-9.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCN1C(C(CC1=O)C(=O)O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations