Geometry & MOs

Info

ID:	123489
PubChem CID:	50850166
Reduced:	OSN4C5H6 (1)
Stoich.:	ABC4D5E6 (1)
Weight, g/mol:	390.96055
ΔH_f, kcal/mol:	38.52
Dipole, Da:	3.65
IP(EA), eV:	-9.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dibromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CSC2=NN=CN2NC1=O

DOS

IR

Vibrations