Geometry & MOs

Info

ID:	322830
PubChem CID:	126671283
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	4.51
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(1-sulfanylethylamino)ethoxy]phenyl]pentan-3-one

Drug info:

PubChemData

Smile

CCC(=O)C1=NC=C(C=C1)OCCCCNC(C)CS

DOS

IR

Vibrations