Geometry & MOs

Info

ID:	373784
PubChem CID:	131320061
Reduced:	NF5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	-239.48
Dipole, Da:	3.35
IP(EA), eV:	-9.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4-amino-2-bromophenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations