Geometry & MOs

Info

ID:	402795
PubChem CID:	135057295
Reduced:	BrNSeC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	20.99
Dipole, Da:	10.0
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-oxidopyridin-1-ium-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1(CC([NH+]=C1)C[Se]C2=CC=CC=C2)C.[Br-]

DOS

IR

Vibrations