Geometry & MOs

Info

ID:	289678
PubChem CID:	104366261
Reduced:	ClSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-72.03
Dipole, Da:	3.78
IP(EA), eV:	-8.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-pyridin-4-ylethyl)amino]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1CC(=O)C2=C(C=C3CCOC3=C2CS1)Cl

DOS

IR

Vibrations