Geometry & MOs

Info

ID:	372615
PubChem CID:	131300814
Reduced:	SN2O3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	6.51
IP(EA), eV:	-9.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylpiperazin-1-yl)methyl]thiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=C(ON=C1)C2CS(=O)(=O)CCN2

DOS

IR

Vibrations