Geometry & MOs

Info

ID:	341956
PubChem CID:	127264649
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	287.033619
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	1.69
IP(EA), eV:	-9.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetate;hydrochloride

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)[C@H](CO)N

DOS

IR

Vibrations