Geometry & MOs

Info

ID:	426485
PubChem CID:	135144425
Reduced:	FON2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	336.200177
ΔH_f, kcal/mol:	25.79
Dipole, Da:	2.97
IP(EA), eV:	-8.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopentyl-N-propylanilino)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NCC3=C(C=CC(=C3)F)C#N

DOS

IR

Vibrations