Geometry & MOs

Info

ID:	197129
PubChem CID:	78926277
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	297.049336
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	2.86
IP(EA), eV:	-9.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(N=NC(=C1C#N)N2CCOC(C2)C(=O)OC)C

DOS

IR

Vibrations