Geometry & MOs

Info

ID:	64561
PubChem CID:	29202880
Reduced:	BrN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	2.6
IP(EA), eV:	-8.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations