Geometry & MOs

Info

ID:	83182
PubChem CID:	49857252
Reduced:	NH5C9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	176.04
Dipole, Da:	1.7
IP(EA), eV:	-9.42(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(2-chlorophenyl)-4-hydroxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)/C=C/C#CC2=CC(=CC=C2)C#N

DOS

IR

Vibrations