Geometry & MOs

Info

ID:	58290
PubChem CID:	24697509
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	252.069891
ΔH_f, kcal/mol:	5.36
Dipole, Da:	2.47
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyanophenoxy)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32)N

DOS

IR

Vibrations