Geometry & MOs

Info

ID:	262050
PubChem CID:	103267312
Reduced:	ON3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	257.069734
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	4.79
IP(EA), eV:	-9.45(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(thian-4-ylamino)methyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(C1)NCC(C(=O)N)N)C

DOS

IR

Vibrations