Geometry & MOs

Info

ID:	197816
PubChem CID:	79003548
Reduced:	FNC5H6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	292.082347
ΔH_f, kcal/mol:	-128.64
Dipole, Da:	2.15
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC1CCCC(C1)NC2=C(C=CC(=N2)C(F)(F)F)C#N

DOS

IR

Vibrations