Geometry & MOs

Info

ID:	407544
PubChem CID:	135080291
Reduced:	N4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	138.084479
ΔH_f, kcal/mol:	83.51
Dipole, Da:	8.07
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-fluoropropyl]benzene

Drug info:

PubChemData

Smile

CNC1=C(C2=C(N1)C=CC=N2)C#N

DOS

IR

Vibrations