Geometry & MOs

Info

ID:	189256
PubChem CID:	77834329
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	283.058691
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	3.19
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(trifluoromethyl)anilino]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C1=CC=CC=C1)C(=O)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations