Geometry & MOs

Info

ID:	286621
PubChem CID:	104179514
Reduced:	FNSC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	245.192569
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	3.27
IP(EA), eV:	-8.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethylsulfanylpropan-1-amine

Drug info:

PubChemData

Smile

C1CSCCC1CNC2CC(C2)C3=CC=CC=C3F

DOS

IR

Vibrations