Geometry & MOs

Info

ID:	5095
PubChem CID:	12581
Reduced:	NC9H9 (1)
Stoich.:	AB9C9 (1)
Weight, g/mol:	131.073499
ΔH_f, kcal/mol:	42.4
Dipole, Da:	3.66
IP(EA), eV:	-9.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC#N

DOS

IR

Vibrations