Geometry & MOs

Info

ID:	136282
PubChem CID:	52011699
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	63.9
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(thian-4-yl)thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations