Geometry & MOs

Info

ID:	380072
PubChem CID:	134964879
Reduced:	NO2F3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	214.063481
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	7.06
IP(EA), eV:	-9.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3-carboxy-2-(4-chlorophenyl)propyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@H]([C@H]2C=CC(=O)O2)C(F)(F)F

DOS

IR

Vibrations