Geometry & MOs

Info

ID:	206772
PubChem CID:	80298963
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	250.093998
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	3.04
IP(EA), eV:	-9.26(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CC(CCCN)NC(=O)CC(C)C(C)(C)C

DOS

IR

Vibrations