Geometry & MOs

Info

ID:	8260
PubChem CID:	75740
Reduced:	OH6C9 (1)
Stoich.:	AB6C9 (1)
Weight, g/mol:	130.041865
ΔH_f, kcal/mol:	52.64
Dipole, Da:	4.2
IP(EA), eV:	-9.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-ynal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC=O

DOS

IR

Vibrations