Geometry & MOs

Info

ID:	402914
PubChem CID:	135057836
Reduced:	NOBr2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	10.39
Dipole, Da:	2.58
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,5-diphenylhex-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC[C@H](CBr)Br

DOS

IR

Vibrations