Geometry & MOs

Info

ID:	206414
PubChem CID:	80247628
Reduced:	FSN2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	226.15037
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	4.0
IP(EA), eV:	-8.51(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-ethylthiophen-2-yl)methyl]-N-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNCC2=CC(=C(C=C2)N)F

DOS

IR

Vibrations