Geometry & MOs

Info

ID:	281339
PubChem CID:	103913728
Reduced:	ON2F4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-193.41
Dipole, Da:	3.07
IP(EA), eV:	-9.35(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(5-hydroxypentylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations