Geometry & MOs

Info

ID:	209794
PubChem CID:	80723800
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	315.111542
ΔH_f, kcal/mol:	-79.85
Dipole, Da:	5.57
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)[N+](=O)[O-])NCCOC

DOS

IR

Vibrations