Geometry & MOs

Info

ID:	47779
PubChem CID:	10535235
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	14.29
Dipole, Da:	2.11
IP(EA), eV:	-9.6(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylhex-5-enal

Drug info:

PubChemData

Smile

C[C@@H]1[C@](O1)(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations