Geometry & MOs

Info

ID:	204841
PubChem CID:	80016307
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	249.17625
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	4.77
IP(EA), eV:	-8.61(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CN(CC1CC(C1)O)CC(CS)C2=CC=CC=C2

DOS

IR

Vibrations