Geometry & MOs

Info

ID:	413892
PubChem CID:	135086843
Reduced:	Br2N2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	1.81
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-methylphenyl)-3-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2[C@@](CCN2C(=O)OC)(C3=C1C=CC(=C3)Br)Br

DOS

IR

Vibrations