Geometry & MOs

Info

ID:	276469
PubChem CID:	103823565
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	31.76
Dipole, Da:	5.54
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCN(CC)CCNCC1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations