Geometry & MOs

Info

ID:	232148
PubChem CID:	87575601
Reduced:	ClSbH11C18 (1)
Stoich.:	ABC11D18 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	117.13
Dipole, Da:	1.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.079061
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-4-oxo-4-phenylbut-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(=CC=C4)Cl.[Sb]

DOS

IR

Vibrations