Geometry & MOs

Info

ID:	373106
PubChem CID:	131310001
Reduced:	OSCl2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	168.035734
ΔH_f, kcal/mol:	-42.41
Dipole, Da:	3.41
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-4-hydroxythiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=C(C=C1)CCl)SC)Cl

DOS

IR

Vibrations