Geometry & MOs

Info

ID:	67017
PubChem CID:	46505708
Reduced:	NBr2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	405.122107
ΔH_f, kcal/mol:	23.12
Dipole, Da:	2.24
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-benzyl-3,5-bis[(3-methylthiophen-2-yl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=C(O2)Br)/C(=O)/C(=C\C3=CC=C(O3)Br)/CN1CC4=CC=CC=C4

DOS

IR

Vibrations