Geometry & MOs

Info

ID:	280854
PubChem CID:	103851624
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	258.128075
ΔH_f, kcal/mol:	7.87
Dipole, Da:	1.72
IP(EA), eV:	-9.12(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2=CC(=CC=C2)CO

DOS

IR

Vibrations