Geometry & MOs

Info

ID:	282295
PubChem CID:	103921689
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	240.107419
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	3.12
IP(EA), eV:	-9.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3,3-difluoro-2-hydroxypropyl)amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NCC(C(F)F)O

DOS

IR

Vibrations