Geometry & MOs

Info

ID:	434376
PubChem CID:	135174809
Reduced:	ON2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	385.192294
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	3.28
IP(EA), eV:	-8.65(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-[4-(1-methylsulfanylethylamino)phenoxy]ethoxy]ethoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC3CCNCC3

DOS

IR

Vibrations