Geometry & MOs

Info

ID:	207807
PubChem CID:	80452612
Reduced:	FN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	5.08
IP(EA), eV:	-9.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-1-(furan-2-yl)butoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)OC2=C(N=CC=C2)F

DOS

IR

Vibrations