Geometry & MOs

Info

ID:	380118
PubChem CID:	134965052
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	248.120115
ΔH_f, kcal/mol:	33.7
Dipole, Da:	1.46
IP(EA), eV:	-9.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-benzyl-3-phenylpent-4-ynal

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)C[C@H](C1(C#N)C#N)C2=CC=CC=C2

DOS

IR

Vibrations