Geometry & MOs

Info

ID:	435143
PubChem CID:	135181983
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	269.283098
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	9.29
IP(EA), eV:	-9.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-piperazin-1-ylpropyl)octan-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=C1)/C(=C(/C=O)\C#N)/N=C2N(CC(CS2)CO)C

DOS

IR

Vibrations