Geometry & MOs

Info

ID:	379884
PubChem CID:	134963592
Reduced:	ClN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	29.72
Dipole, Da:	4.05
IP(EA), eV:	-9.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylidene-1-cyclohexylbutane-1,3-dione

Drug info:

PubChemData

Smile

C1CC2C[C@H]([C@H]1N2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations