Geometry & MOs

Info

ID:	127339
PubChem CID:	50998910
Reduced:	O2F3N4C15H21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-210.46
Dipole, Da:	4.3
IP(EA), eV:	-9.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[2-(aminomethyl)-4-chlorophenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NNC(=NCC1=CC=CC=C1)NCC(F)(F)F

DOS

IR

Vibrations