Geometry & MOs

Info

ID:	374967
PubChem CID:	131408220
Reduced:	N2F3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	3.66
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2)C=C1[C@@H](CC(F)(F)F)N

DOS

IR

Vibrations