Geometry & MOs

Info

ID:	288741
PubChem CID:	104324755
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	255.050713
ΔH_f, kcal/mol:	46.48
Dipole, Da:	6.55
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=NC=C1COC2=C(OC3=CC=CC=C32)C#N

DOS

IR

Vibrations