Geometry & MOs

Info

ID:	9115
PubChem CID:	86208
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-17.23
Dipole, Da:	3.01
IP(EA), eV:	-9.44(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-prop-1-en-2-ylphenyl)butanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations