Geometry & MOs

Info

ID:	249439
PubChem CID:	103089430
Reduced:	SN2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	245.192569
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	3.78
IP(EA), eV:	-8.4(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-methylsulfanyl-N-(2-piperazin-1-ylethyl)butan-1-amine

Drug info:

PubChemData

Smile

CCN(CCCCSC)C1CC2CCC(C1)N2

DOS

IR

Vibrations