Geometry & MOs

Info

ID:	374868
PubChem CID:	131349587
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	9.56
Dipole, Da:	4.15
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(methoxymethyl)-4-methylthieno[3,2-b]pyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C(C2=C(SC=N2)C)N)C

DOS

IR

Vibrations