Geometry & MOs

Info

ID:	202467
PubChem CID:	79675716
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	304.070405
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	5.08
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=C1)C(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations