Geometry & MOs

Info

ID:	371950
PubChem CID:	131281995
Reduced:	SN3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	83.51
Dipole, Da:	6.12
IP(EA), eV:	-9.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(4-hydroxypiperidin-1-yl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1(C2=NC=C(S2)C#N)N

DOS

IR

Vibrations