Geometry & MOs

Info

ID:	245938
PubChem CID:	103030191
Reduced:	SN5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	291.08639
ΔH_f, kcal/mol:	75.89
Dipole, Da:	3.29
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(CCC2=CN(N=C2)C)NC

DOS

IR

Vibrations