Geometry & MOs

Info

ID:	309470
PubChem CID:	126546471
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	306.176585
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	1.39
IP(EA), eV:	-8.13(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1-ethylsulfanylethyl)anilino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2CCOC2)C(C)(C)C

DOS

IR

Vibrations