Geometry & MOs

Info

ID:	124415
PubChem CID:	50882141
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	2.88
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)Br)OC)C(=O)NN

DOS

IR

Vibrations