Geometry & MOs

Info

ID:	204835
PubChem CID:	80015774
Reduced:	NOSC9H15 (1)
Stoich.:	ABCD9E15 (1)
Weight, g/mol:	255.165686
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	2.09
IP(EA), eV:	-8.91(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=CO1)CN(C)CCS

DOS

IR

Vibrations