Geometry & MOs

Info

ID:	277529
PubChem CID:	103829228
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	3.49
IP(EA), eV:	-9.19(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C/C=C/CNC1(CCCC1)CO

DOS

IR

Vibrations