Geometry & MOs

Info

ID:	201545
PubChem CID:	79553484
Reduced:	NSO3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	243.083019
ΔH_f, kcal/mol:	-165.65
Dipole, Da:	3.81
IP(EA), eV:	-9.53(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCCCC1C2CCCCC2=O

DOS

IR

Vibrations