Geometry & MOs

Info

ID:	447158
PubChem CID:	135280803
Reduced:	O5C22H44 (1)
Stoich.:	A5B22C44 (1)
Weight, g/mol:	217.186421
ΔH_f, kcal/mol:	-287.16
Dipole, Da:	4.11
IP(EA), eV:	-9.02(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,7-dimethyloctan-4-ylamino)ethanethiol

Drug info:

PubChemData

Smile

CCOCC1CC(C(C(C1OC(C)C)OC(C)C)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations