Geometry & MOs

Info

ID:	340284
PubChem CID:	127262295
Reduced:	N2F3H15C21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	193.086957
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	2.77
IP(EA), eV:	-9.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-amino-2-methylcyclohexane-1-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H]2[C@H](N=C(N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations