Geometry & MOs

Info

ID:	379928
PubChem CID:	134964340
Reduced:	BO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	2.37
IP(EA), eV:	-9.57(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-phenylpent-4-enal

Drug info:

PubChemData

Smile

B1(OC2CC3CC([C@]2(O1)C)C3(C)C)[C@@H](C)C=C

DOS

IR

Vibrations