Geometry & MOs

Info

ID:	291532
PubChem CID:	113384782
Reduced:	SN2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	50.91
Dipole, Da:	2.83
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[4-(methylaminomethyl)phenyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)SCCC2=CC=CC=N2

DOS

IR

Vibrations