Geometry & MOs

Info

ID:	148342
PubChem CID:	53788004
Reduced:	BrO2S2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	332.282764
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	2.51
IP(EA), eV:	-8.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylhexan-1-amine

Drug info:

PubChemData

Smile

CSC1=C(C(=C(C=C1)Br)SC)OC2CCCO2

DOS

IR

Vibrations