Geometry & MOs

Info

ID:	263914
PubChem CID:	103407568
Reduced:	ClNSC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	235.178358
ΔH_f, kcal/mol:	16.26
Dipole, Da:	1.4
IP(EA), eV:	-8.59(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)C(C2=C(C(=CS2)C)Cl)NC

DOS

IR

Vibrations