Geometry & MOs

Info

ID:	265408
PubChem CID:	103520080
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	251.074642
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	6.34
IP(EA), eV:	-9.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(3-phenylprop-2-ynoxy)benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC(=O)CC2(CCC2)OC

DOS

IR

Vibrations