Geometry & MOs

Info

ID:	374125
PubChem CID:	131323995
Reduced:	N2F3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	-175.87
Dipole, Da:	3.38
IP(EA), eV:	-8.99(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-hydroxy-5,6-dimethylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1CCN(C2(C1)CCNCC2)CC(F)(F)F

DOS

IR

Vibrations