Geometry & MOs

Info

ID:	282294
PubChem CID:	103921687
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	1.63
IP(EA), eV:	-8.59(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC)CCNC1CC(C12CCC2)OCC

DOS

IR

Vibrations